N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]cyclohexanecarboxamide;N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]quinoline-4-carboxamide;3-[1-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;1-(1,2-dihydropyridin-2-yl)-3-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea;molecular hydrogen

C107H145Cl6FN14O4 — CID 161163638

IUPACN-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]cyclohexanecarboxamide;N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]quinoline-4-carboxamide;3-[1-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;1-(1,2-dihydropyridin-2-yl)-3-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea;molecular hydrogen
SMILESO=C(CCC1CCCN(C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)C1)c1ccc2ncccc2c1.O=C(NC1C=CC=CN1)N[C@@H]1CCCC[C@H]1CN1CCC[C@@H](Cc2ccc(F)cc2)C1.O=C(NCC1CCCN(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)C1CCCCC1.O=C(NCC1CCCN(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccnc2ccccc12.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C29H33Cl2N3O.C28H32Cl2N4O.C25H37Cl2N3O.C25H35FN4O.4H2/c30-25-15-22(16-26(31)18-25)19-33-13-9-27(10-14-33)34-12-2-3-21(20-34)5-8-29(35)24-6-7-28-23(17-24)4-1-11-32-28;29-25-8-7-20(16-26(25)30)18-33-14-10-22(11-15-33)34-13-3-4-21(19-34)17-32-28(35)24-9-12-31-27-6-2-1-5-23(24)27;26-23-9-8-19(15-24(23)27)17-29-13-10-22(11-14-29)30-12-4-5-20(18-30)16-28-25(31)21-6-2-1-3-7-21;26-22-12-10-19(11-13-22)16-20-6-5-15-30(17-20)18-21-7-1-2-8-23(21)28-25(31)29-24-9-3-4-14-27-24;;;;/h1,4,6-7,11,15-18,21,27H,2-3,5,8-10,12-14,19-20H2;1-2,5-9,12,16,21-22H,3-4,10-11,13-15,17-19H2,(H,32,35);8-9,15,20-22H,1-7,10-14,16-18H2,(H,28,31);3-4,9-14,20-21,23-24,27H,1-2,5-8,15-18H2,(H2,28,29,31);4*1H/t;;;20-,21-,23+,24?;;;;/m...0..../s1
InChIKeyUQFYHLXDSPFACJ-NNXNZLOKSA-N
MW1923.15 g/mol
LogP22.82
Rot. Bonds25

About N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]cyclohexanecarboxamide;N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]quinoline-4-carboxamide;3-[1-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;1-(1,2-dihydropyridin-2-yl)-3-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea;molecular hydrogen

N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]cyclohexanecarboxamide;N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]quinoline-4-carboxamide;3-[1-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;1-(1,2-dihydropyridin-2-yl)-3-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea;molecular hydrogen (PubChem CID 161163638) has the molecular formula C107H145Cl6FN14O4 and a molecular weight of 1923.15 g/mol. Its IUPAC name is N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]cyclohexanecarboxamide;N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]quinoline-4-carboxamide;3-[1-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;1-(1,2-dihydropyridin-2-yl)-3-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea;molecular hydrogen.

Molecular Properties

Compound NameN-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]cyclohexanecarboxamide;N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]quinoline-4-carboxamide;3-[1-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;1-(1,2-dihydropyridin-2-yl)-3-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea;molecular hydrogen
PubChem CID161163638
Molecular FormulaC107H145Cl6FN14O4
Molecular Weight1923.15 g/mol
Exact Mass1918.97
IUPAC NameN-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]cyclohexanecarboxamide;N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]quinoline-4-carboxamide;3-[1-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;1-(1,2-dihydropyridin-2-yl)-3-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea;molecular hydrogen
SMILESO=C(CCC1CCCN(C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)C1)c1ccc2ncccc2c1.O=C(NC1C=CC=CN1)N[C@@H]1CCCC[C@H]1CN1CCC[C@@H](Cc2ccc(F)cc2)C1.O=C(NCC1CCCN(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)C1CCCCC1.O=C(NCC1CCCN(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccnc2ccccc12.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C29H33Cl2N3O.C28H32Cl2N4O.C25H37Cl2N3O.C25H35FN4O.4H2/c30-25-15-22(16-26(31)18-25)19-33-13-9-27(10-14-33)34-12-2-3-21(20-34)5-8-29(35)24-6-7-28-23(17-24)4-1-11-32-28;29-25-8-7-20(16-26(25)30)18-33-14-10-22(11-15-33)34-13-3-4-21(19-34)17-32-28(35)24-9-12-31-27-6-2-1-5-23(24)27;26-23-9-8-19(15-24(23)27)17-29-13-10-22(11-14-29)30-12-4-5-20(18-30)16-28-25(31)21-6-2-1-3-7-21;26-22-12-10-19(11-13-22)16-20-6-5-15-30(17-20)18-21-7-1-2-8-23(21)28-25(31)29-24-9-3-4-14-27-24;;;;/h1,4,6-7,11,15-18,21,27H,2-3,5,8-10,12-14,19-20H2;1-2,5-9,12,16,21-22H,3-4,10-11,13-15,17-19H2,(H,32,35);8-9,15,20-22H,1-7,10-14,16-18H2,(H,28,31);3-4,9-14,20-21,23-24,27H,1-2,5-8,15-18H2,(H2,28,29,31);4*1H/t;;;20-,21-,23+,24?;;;;/m...0..../s1
InChIKeyUQFYHLXDSPFACJ-NNXNZLOKSA-N
XLogP22.82
TPSA176.89 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds25
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001923.15
LogP ≤ 522.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]cyclohexanecarboxamide;N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]quinoline-4-carboxamide;3-[1-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;1-(1,2-dihydropyridin-2-yl)-3-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea;molecular hydrogen with MolForge

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Related Compounds

N-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-1-[1-(quinoline-6-carbonyl)piperidin-4-yl]piperidin-3-yl]acetamide
CID 44389722
[4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-(fluoromethyl)piperidin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone
CID 44389736
N-[[(3R,4S)-4-[(3,4-dichlorophenyl)methyl]-1-[1-(quinoline-6-carbonyl)piperidin-4-yl]piperidin-3-yl]methyl]acetamide
CID 44389770
N-[[1-[1-[2-(3,4-dichlorophenyl)acetyl]piperidin-4-yl]piperidin-3-yl]methyl]quinoline-6-carboxamide
CID 44399290
N-[[1-[1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-yl]piperidin-3-yl]methyl]quinoline-6-carboxamide
CID 44399303
N-[[1-[1-[1-(3,4-dichlorophenyl)ethyl]piperidin-4-yl]piperidin-3-yl]methyl]quinoline-6-carboxamide
CID 44399332
N-[[1-[1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidin-4-yl]piperidin-3-yl]methyl]quinoline-6-carboxamide
CID 44399395
Quinoline-6-carboxylic acid [1''-(3,4-dichloro-benzyl)-[1,4'']bipiperidinyl-3-ylmethyl]-amide
CID 44399469
N-[[1-[1-[2-(3,4-dichlorophenyl)ethyl]piperidin-4-yl]piperidin-3-yl]methyl]quinoline-6-carboxamide
CID 44399538
Quinoline-4-carboxylic acid [1''-(3,4-dichloro-benzyl)-[1,4'']bipiperidinyl-3-ylmethyl]-amide
CID 44399567
Quinoline-6-carboxylic acid [1''-(3,5-dichloro-benzyl)-[1,4'']bipiperidinyl-3-ylmethyl]-amide
CID 44399574
(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-1-[1-(quinoline-6-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 44389689

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]cyclohexanecarboxamide;N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]quinoline-4-carboxamide;3-[1-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;1-(1,2-dihydropyridin-2-yl)-3-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea;molecular hydrogen?
The IUPAC name of N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]cyclohexanecarboxamide;N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]quinoline-4-carboxamide;3-[1-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;1-(1,2-dihydropyridin-2-yl)-3-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea;molecular hydrogen (CID 161163638) is N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]cyclohexanecarboxamide;N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]quinoline-4-carboxamide;3-[1-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;1-(1,2-dihydropyridin-2-yl)-3-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea;molecular hydrogen.
What is the SMILES notation for N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]cyclohexanecarboxamide;N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]quinoline-4-carboxamide;3-[1-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;1-(1,2-dihydropyridin-2-yl)-3-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea;molecular hydrogen?
The canonical SMILES for N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]cyclohexanecarboxamide;N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]quinoline-4-carboxamide;3-[1-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;1-(1,2-dihydropyridin-2-yl)-3-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea;molecular hydrogen is O=C(CCC1CCCN(C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)C1)c1ccc2ncccc2c1.O=C(NC1C=CC=CN1)N[C@@H]1CCCC[C@H]1CN1CCC[C@@H](Cc2ccc(F)cc2)C1.O=C(NCC1CCCN(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)C1CCCCC1.O=C(NCC1CCCN(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccnc2ccccc12.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]cyclohexanecarboxamide;N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]quinoline-4-carboxamide;3-[1-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;1-(1,2-dihydropyridin-2-yl)-3-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea;molecular hydrogen?
The InChIKey is UQFYHLXDSPFACJ-NNXNZLOKSA-N. The full InChI is InChI=1S/C29H33Cl2N3O.C28H32Cl2N4O.C25H37Cl2N3O.C25H35FN4O.4H2/c30-25-15-22(16-26(31)18-25)19-33-13-9-27(10-14-33)34-12-2-3-21(20-34)5-8-29(35)24-6-7-28-23(17-24)4-1-11-32-28;29-25-8-7-20(16-26(25)30)18-33-14-10-22(11-15-33)34-13-3-4-21(19-34)17-32-28(35)24-9-12-31-27-6-2-1-5-23(24)27;26-23-9-8-19(15-24(23)27)17-29-13-10-22(11-14-29)30-12-4-5-20(18-30)16-28-25(31)21-6-2-1-3-7-21;26-22-12-10-19(11-13-22)16-20-6-5-15-30(17-20)18-21-7-1-2-8-23(21)28-25(31)29-24-9-3-4-14-27-24;;;;/h1,4,6-7,11,15-18,21,27H,2-3,5,8-10,12-14,19-20H2;1-2,5-9,12,16,21-22H,3-4,10-11,13-15,17-19H2,(H,32,35);8-9,15,20-22H,1-7,10-14,16-18H2,(H,28,31);3-4,9-14,20-21,23-24,27H,1-2,5-8,15-18H2,(H2,28,29,31);4*1H/t;;;20-,21-,23+,24?;;;;/m...0..../s1.
What are the key properties of N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]cyclohexanecarboxamide;N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]quinoline-4-carboxamide;3-[1-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;1-(1,2-dihydropyridin-2-yl)-3-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea;molecular hydrogen?
N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]cyclohexanecarboxamide;N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]quinoline-4-carboxamide;3-[1-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;1-(1,2-dihydropyridin-2-yl)-3-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea;molecular hydrogen has a molecular weight of 1923.15 g/mol, XLogP of 22.82, 25 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]cyclohexanecarboxamide;N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]quinoline-4-carboxamide;3-[1-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;1-(1,2-dihydropyridin-2-yl)-3-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea;molecular hydrogen is sourced from PubChem (CID 161163638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).