N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-methoxybenzamide;(2S)-2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-phenylpropanoic acid;3-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]benzoic acid;molecular hydrogen

C71H88Cl6N6O10 — CID 160790714

IUPACN-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-methoxybenzamide;(2S)-2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-phenylpropanoic acid;3-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]benzoic acid;molecular hydrogen
SMILESCOc1cccc(C(=O)NCCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1.O=C(O)[C@H](Cc1ccccc1)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1.O=C(O)c1cccc(C(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1.[H][H].[H][H].[H][H]
InChIInChI=1S/C26H32Cl2N2O3.C24H26Cl2N2O4.C21H24Cl2N2O3.3H2/c27-23-7-6-22(17-24(23)28)33-21-10-12-29(13-11-21)18-20-8-14-30(15-9-20)25(26(31)32)16-19-4-2-1-3-5-19;25-21-5-4-20(15-22(21)26)32-19-8-12-27(13-9-19)18-6-10-28(11-7-18)23(29)16-2-1-3-17(14-16)24(30)31;1-27-17-4-2-3-15(13-17)21(26)24-9-12-25-10-7-16(8-11-25)28-18-5-6-19(22)20(23)14-18;;;/h1-7,17,20-21,25H,8-16,18H2,(H,31,32);1-5,14-15,18-19H,6-13H2,(H,30,31);2-6,13-14,16H,7-12H2,1H3,(H,24,26);3*1H/t25-;;;;;/m0...../s1
InChIKeySBUFQEFALXGGSM-ADLAKPPASA-N
MW1398.23 g/mol
LogP15.10
Rot. Bonds20

About N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-methoxybenzamide;(2S)-2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-phenylpropanoic acid;3-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]benzoic acid;molecular hydrogen

N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-methoxybenzamide;(2S)-2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-phenylpropanoic acid;3-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]benzoic acid;molecular hydrogen (PubChem CID 160790714) has the molecular formula C71H88Cl6N6O10 and a molecular weight of 1398.23 g/mol. Its IUPAC name is N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-methoxybenzamide;(2S)-2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-phenylpropanoic acid;3-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]benzoic acid;molecular hydrogen.

Molecular Properties

Compound NameN-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-methoxybenzamide;(2S)-2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-phenylpropanoic acid;3-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]benzoic acid;molecular hydrogen
PubChem CID160790714
Molecular FormulaC71H88Cl6N6O10
Molecular Weight1398.23 g/mol
Exact Mass1394.47
IUPAC NameN-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-methoxybenzamide;(2S)-2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-phenylpropanoic acid;3-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]benzoic acid;molecular hydrogen
SMILESCOc1cccc(C(=O)NCCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1.O=C(O)[C@H](Cc1ccccc1)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1.O=C(O)c1cccc(C(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1.[H][H].[H][H].[H][H]
InChIInChI=1S/C26H32Cl2N2O3.C24H26Cl2N2O4.C21H24Cl2N2O3.3H2/c27-23-7-6-22(17-24(23)28)33-21-10-12-29(13-11-21)18-20-8-14-30(15-9-20)25(26(31)32)16-19-4-2-1-3-5-19;25-21-5-4-20(15-22(21)26)32-19-8-12-27(13-9-19)18-6-10-28(11-7-18)23(29)16-2-1-3-17(14-16)24(30)31;1-27-17-4-2-3-15(13-17)21(26)24-9-12-25-10-7-16(8-11-25)28-18-5-6-19(22)20(23)14-18;;;/h1-7,17,20-21,25H,8-16,18H2,(H,31,32);1-5,14-15,18-19H,6-13H2,(H,30,31);2-6,13-14,16H,7-12H2,1H3,(H,24,26);3*1H/t25-;;;;;/m0...../s1
InChIKeySBUFQEFALXGGSM-ADLAKPPASA-N
XLogP15.10
TPSA173.89 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001398.23
LogP ≤ 515.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-methoxybenzamide;(2S)-2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-phenylpropanoic acid;3-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]benzoic acid;molecular hydrogen with MolForge

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Related Compounds

2-[4-[[4-(3-chloro-4-cyanophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-phenylpropanoic acid
CID 68930022
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-hydroxybenzamide;hydrochloride
CID 22322198
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]naphthalene-2-carboxamide
CID 22322216
3-(2-aminoethoxy)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 10161188
3-cyano-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 22322356
[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 1360916
methyl (2S)-3-cyclopentyl-2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]propanoate
CID 11992184
4-(aminomethyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 10112968
(2R)-2-[4-[[4-(3,4-dichloro-2-methylphenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-phenylpropanoic acid
CID 71072060
N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-3-methylbenzamide
CID 153458835
acetic acid;[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 22397435
3-methoxy-N-[2-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 90616430

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-methoxybenzamide;(2S)-2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-phenylpropanoic acid;3-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]benzoic acid;molecular hydrogen?
The IUPAC name of N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-methoxybenzamide;(2S)-2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-phenylpropanoic acid;3-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]benzoic acid;molecular hydrogen (CID 160790714) is N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-methoxybenzamide;(2S)-2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-phenylpropanoic acid;3-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]benzoic acid;molecular hydrogen.
What is the SMILES notation for N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-methoxybenzamide;(2S)-2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-phenylpropanoic acid;3-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]benzoic acid;molecular hydrogen?
The canonical SMILES for N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-methoxybenzamide;(2S)-2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-phenylpropanoic acid;3-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]benzoic acid;molecular hydrogen is COc1cccc(C(=O)NCCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1.O=C(O)[C@H](Cc1ccccc1)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1.O=C(O)c1cccc(C(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1.[H][H].[H][H].[H][H].
What is the InChIKey of N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-methoxybenzamide;(2S)-2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-phenylpropanoic acid;3-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]benzoic acid;molecular hydrogen?
The InChIKey is SBUFQEFALXGGSM-ADLAKPPASA-N. The full InChI is InChI=1S/C26H32Cl2N2O3.C24H26Cl2N2O4.C21H24Cl2N2O3.3H2/c27-23-7-6-22(17-24(23)28)33-21-10-12-29(13-11-21)18-20-8-14-30(15-9-20)25(26(31)32)16-19-4-2-1-3-5-19;25-21-5-4-20(15-22(21)26)32-19-8-12-27(13-9-19)18-6-10-28(11-7-18)23(29)16-2-1-3-17(14-16)24(30)31;1-27-17-4-2-3-15(13-17)21(26)24-9-12-25-10-7-16(8-11-25)28-18-5-6-19(22)20(23)14-18;;;/h1-7,17,20-21,25H,8-16,18H2,(H,31,32);1-5,14-15,18-19H,6-13H2,(H,30,31);2-6,13-14,16H,7-12H2,1H3,(H,24,26);3*1H/t25-;;;;;/m0...../s1.
What are the key properties of N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-methoxybenzamide;(2S)-2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-phenylpropanoic acid;3-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]benzoic acid;molecular hydrogen?
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-methoxybenzamide;(2S)-2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-phenylpropanoic acid;3-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]benzoic acid;molecular hydrogen has a molecular weight of 1398.23 g/mol, XLogP of 15.10, 20 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-methoxybenzamide;(2S)-2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-phenylpropanoic acid;3-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]benzoic acid;molecular hydrogen is sourced from PubChem (CID 160790714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).