N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide

C184H248Cl12N30O24 — CID 162178482

IUPACN-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide
SMILESCC[C@@H](CN(C)C)Oc1cccnc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CC(C)(O)C2)CC1.CC[C@@H](CN(C)C)Oc1cccnc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CCC[C@@H](O)C2)CC1.CC[C@@H](CN(C)C)Oc1cccnc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CCC[C@H](O)C2)CC1.CN1CCC[C@H](Oc2cccnc2C2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)NC(=O)N3CC(C)(O)C3)CC2)C1.CN1CCC[C@H](Oc2cccnc2C2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)NC(=O)N3CCC[C@@H](O)C3)CC2)C1.CN1CCC[C@H](Oc2cccnc2C2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)NC(=O)N3CCC[C@H](O)C3)CC2)C1
InChIInChI=1S/2C31H41Cl2N5O4.2C31H43Cl2N5O4.C30H39Cl2N5O4.C30H41Cl2N5O4/c2*1-36-13-4-6-25(20-36)42-28-7-2-12-34-29(28)21-10-15-37(16-11-21)30(40)27(17-22-8-9-23(32)18-26(22)33)35-31(41)38-14-3-5-24(39)19-38;2*1-4-25(20-36(2)3)42-28-8-5-13-34-29(28)21-11-15-37(16-12-21)30(40)27(17-22-9-10-23(32)18-26(22)33)35-31(41)38-14-6-7-24(39)19-38;1-30(40)18-37(19-30)29(39)34-25(15-21-7-8-22(31)16-24(21)32)28(38)36-13-9-20(10-14-36)27-26(6-3-11-33-27)41-23-5-4-12-35(2)17-23;1-5-23(17-35(3)4)41-26-7-6-12-33-27(26)20-10-13-36(14-11-20)28(38)25(15-21-8-9-22(31)16-24(21)32)34-29(39)37-18-30(2,40)19-37/h2*2,7-9,12,18,21,24-25,27,39H,3-6,10-11,13-17,19-20H2,1H3,(H,35,41);2*5,8-10,13,18,21,24-25,27,39H,4,6-7,11-12,14-17,19-20H2,1-3H3,(H,35,41);3,6-8,11,16,20,23,25,40H,4-5,9-10,12-15,17-19H2,1-2H3,(H,34,39);6-9,12,16,20,23,25,40H,5,10-11,13-15,17-19H2,1-4H3,(H,34,39)/t24-,25+,27-;24-,25-,27+;24-,25+,27-;24-,25-,27+;2*23-,25+/m101000/s1
InChIKeyZOSACCWSLWWFPB-SQQOIBIXSA-N
MW3689.63 g/mol
LogP26.03
Rot. Bonds51

About N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide

N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide (PubChem CID 162178482) has the molecular formula C184H248Cl12N30O24 and a molecular weight of 3689.63 g/mol. Its IUPAC name is N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide
PubChem CID162178482
Molecular FormulaC184H248Cl12N30O24
Molecular Weight3689.63 g/mol
Exact Mass3681.54
IUPAC NameN-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide
SMILESCC[C@@H](CN(C)C)Oc1cccnc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CC(C)(O)C2)CC1.CC[C@@H](CN(C)C)Oc1cccnc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CCC[C@@H](O)C2)CC1.CC[C@@H](CN(C)C)Oc1cccnc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CCC[C@H](O)C2)CC1.CN1CCC[C@H](Oc2cccnc2C2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)NC(=O)N3CC(C)(O)C3)CC2)C1.CN1CCC[C@H](Oc2cccnc2C2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)NC(=O)N3CCC[C@@H](O)C3)CC2)C1.CN1CCC[C@H](Oc2cccnc2C2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)NC(=O)N3CCC[C@H](O)C3)CC2)C1
InChIInChI=1S/2C31H41Cl2N5O4.2C31H43Cl2N5O4.C30H39Cl2N5O4.C30H41Cl2N5O4/c2*1-36-13-4-6-25(20-36)42-28-7-2-12-34-29(28)21-10-15-37(16-11-21)30(40)27(17-22-8-9-23(32)18-26(22)33)35-31(41)38-14-3-5-24(39)19-38;2*1-4-25(20-36(2)3)42-28-8-5-13-34-29(28)21-11-15-37(16-12-21)30(40)27(17-22-9-10-23(32)18-26(22)33)35-31(41)38-14-6-7-24(39)19-38;1-30(40)18-37(19-30)29(39)34-25(15-21-7-8-22(31)16-24(21)32)28(38)36-13-9-20(10-14-36)27-26(6-3-11-33-27)41-23-5-4-12-35(2)17-23;1-5-23(17-35(3)4)41-26-7-6-12-33-27(26)20-10-13-36(14-11-20)28(38)25(15-21-8-9-22(31)16-24(21)32)34-29(39)37-18-30(2,40)19-37/h2*2,7-9,12,18,21,24-25,27,39H,3-6,10-11,13-17,19-20H2,1H3,(H,35,41);2*5,8-10,13,18,21,24-25,27,39H,4,6-7,11-12,14-17,19-20H2,1-3H3,(H,35,41);3,6-8,11,16,20,23,25,40H,4-5,9-10,12-15,17-19H2,1-2H3,(H,34,39);6-9,12,16,20,23,25,40H,5,10-11,13-15,17-19H2,1-4H3,(H,34,39)/t24-,25+,27-;24-,25-,27+;24-,25+,27-;24-,25-,27+;2*23-,25+/m101000/s1
InChIKeyZOSACCWSLWWFPB-SQQOIBIXSA-N
XLogP26.03
TPSA589.44 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds51
Heavy Atoms250
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003689.63
LogP ≤ 526.03
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Analyze N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide (CID 162178482) is N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide is CC[C@@H](CN(C)C)Oc1cccnc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CC(C)(O)C2)CC1.CC[C@@H](CN(C)C)Oc1cccnc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CCC[C@@H](O)C2)CC1.CC[C@@H](CN(C)C)Oc1cccnc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CCC[C@H](O)C2)CC1.CN1CCC[C@H](Oc2cccnc2C2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)NC(=O)N3CC(C)(O)C3)CC2)C1.CN1CCC[C@H](Oc2cccnc2C2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)NC(=O)N3CCC[C@@H](O)C3)CC2)C1.CN1CCC[C@H](Oc2cccnc2C2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)NC(=O)N3CCC[C@H](O)C3)CC2)C1.
What is the InChIKey of N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide?
The InChIKey is ZOSACCWSLWWFPB-SQQOIBIXSA-N. The full InChI is InChI=1S/2C31H41Cl2N5O4.2C31H43Cl2N5O4.C30H39Cl2N5O4.C30H41Cl2N5O4/c2*1-36-13-4-6-25(20-36)42-28-7-2-12-34-29(28)21-10-15-37(16-11-21)30(40)27(17-22-8-9-23(32)18-26(22)33)35-31(41)38-14-3-5-24(39)19-38;2*1-4-25(20-36(2)3)42-28-8-5-13-34-29(28)21-11-15-37(16-12-21)30(40)27(17-22-9-10-23(32)18-26(22)33)35-31(41)38-14-6-7-24(39)19-38;1-30(40)18-37(19-30)29(39)34-25(15-21-7-8-22(31)16-24(21)32)28(38)36-13-9-20(10-14-36)27-26(6-3-11-33-27)41-23-5-4-12-35(2)17-23;1-5-23(17-35(3)4)41-26-7-6-12-33-27(26)20-10-13-36(14-11-20)28(38)25(15-21-8-9-22(31)16-24(21)32)34-29(39)37-18-30(2,40)19-37/h2*2,7-9,12,18,21,24-25,27,39H,3-6,10-11,13-17,19-20H2,1H3,(H,35,41);2*5,8-10,13,18,21,24-25,27,39H,4,6-7,11-12,14-17,19-20H2,1-3H3,(H,35,41);3,6-8,11,16,20,23,25,40H,4-5,9-10,12-15,17-19H2,1-2H3,(H,34,39);6-9,12,16,20,23,25,40H,5,10-11,13-15,17-19H2,1-4H3,(H,34,39)/t24-,25+,27-;24-,25-,27+;24-,25+,27-;24-,25-,27+;2*23-,25+/m101000/s1.
What are the key properties of N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide?
N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide has a molecular weight of 3689.63 g/mol, XLogP of 26.03, 51 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)butan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3S)-1-methylpiperidin-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 162178482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).