1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide

C121H124Cl4N16O9 — CID 158886185

IUPAC1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1)c1ccncc1.COc1cccc(CCNC(=O)C2CCN(C(=O)c3cc4ccccc4n3Cc3ccc(Cl)cc3)CC2)c1.O=C(NCCc1cccnc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.O=C(c1cc2ccccc2n1Cc1ccc(Cl)cc1)N1CCC(C(=O)N2CCN(Cc3cccnc3)CC2)CC1
InChIInChI=1S/C32H34ClN5O2.C31H32ClN3O3.2C29H29ClN4O2/c33-28-9-7-24(8-10-28)23-38-29-6-2-1-5-27(29)20-30(38)32(40)36-14-11-26(12-15-36)31(39)37-18-16-35(17-19-37)22-25-4-3-13-34-21-25;1-38-27-7-4-5-22(19-27)13-16-33-30(36)24-14-17-34(18-15-24)31(37)29-20-25-6-2-3-8-28(25)35(29)21-23-9-11-26(32)12-10-23;1-20(22-10-14-31-15-11-22)32-28(35)23-12-16-33(17-13-23)29(36)27-18-24-4-2-3-5-26(24)34(27)19-21-6-8-25(30)9-7-21;30-25-9-7-22(8-10-25)20-34-26-6-2-1-5-24(26)18-27(34)29(36)33-16-12-23(13-17-33)28(35)32-15-11-21-4-3-14-31-19-21/h1-10,13,20-21,26H,11-12,14-19,22-23H2;2-12,19-20,24H,13-18,21H2,1H3,(H,33,36);2-11,14-15,18,20,23H,12-13,16-17,19H2,1H3,(H,32,35);1-10,14,18-19,23H,11-13,15-17,20H2,(H,32,35)
InChIKeyJDQSMDGBIOCJCI-UHFFFAOYSA-N
MW2088.24 g/mol
LogP20.91
Rot. Bonds27

About 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide

1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide (PubChem CID 158886185) has the molecular formula C121H124Cl4N16O9 and a molecular weight of 2088.24 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
PubChem CID158886185
Molecular FormulaC121H124Cl4N16O9
Molecular Weight2088.24 g/mol
Exact Mass2084.85
IUPAC Name1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1)c1ccncc1.COc1cccc(CCNC(=O)C2CCN(C(=O)c3cc4ccccc4n3Cc3ccc(Cl)cc3)CC2)c1.O=C(NCCc1cccnc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.O=C(c1cc2ccccc2n1Cc1ccc(Cl)cc1)N1CCC(C(=O)N2CCN(Cc3cccnc3)CC2)CC1
InChIInChI=1S/C32H34ClN5O2.C31H32ClN3O3.2C29H29ClN4O2/c33-28-9-7-24(8-10-28)23-38-29-6-2-1-5-27(29)20-30(38)32(40)36-14-11-26(12-15-36)31(39)37-18-16-35(17-19-37)22-25-4-3-13-34-21-25;1-38-27-7-4-5-22(19-27)13-16-33-30(36)24-14-17-34(18-15-24)31(37)29-20-25-6-2-3-8-28(25)35(29)21-23-9-11-26(32)12-10-23;1-20(22-10-14-31-15-11-22)32-28(35)23-12-16-33(17-13-23)29(36)27-18-24-4-2-3-5-26(24)34(27)19-21-6-8-25(30)9-7-21;30-25-9-7-22(8-10-25)20-34-26-6-2-1-5-24(26)18-27(34)29(36)33-16-12-23(13-17-33)28(35)32-15-11-21-4-3-14-31-19-21/h1-10,13,20-21,26H,11-12,14-19,22-23H2;2-12,19-20,24H,13-18,21H2,1H3,(H,33,36);2-11,14-15,18,20,23H,12-13,16-17,19H2,1H3,(H,32,35);1-10,14,18-19,23H,11-13,15-17,20H2,(H,32,35)
InChIKeyJDQSMDGBIOCJCI-UHFFFAOYSA-N
XLogP20.91
TPSA259.71 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds27
Heavy Atoms150
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002088.24
LogP ≤ 520.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide (CID 158886185) is 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide is CC(NC(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1)c1ccncc1.COc1cccc(CCNC(=O)C2CCN(C(=O)c3cc4ccccc4n3Cc3ccc(Cl)cc3)CC2)c1.O=C(NCCc1cccnc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.O=C(c1cc2ccccc2n1Cc1ccc(Cl)cc1)N1CCC(C(=O)N2CCN(Cc3cccnc3)CC2)CC1.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide?
The InChIKey is JDQSMDGBIOCJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34ClN5O2.C31H32ClN3O3.2C29H29ClN4O2/c33-28-9-7-24(8-10-28)23-38-29-6-2-1-5-27(29)20-30(38)32(40)36-14-11-26(12-15-36)31(39)37-18-16-35(17-19-37)22-25-4-3-13-34-21-25;1-38-27-7-4-5-22(19-27)13-16-33-30(36)24-14-17-34(18-15-24)31(37)29-20-25-6-2-3-8-28(25)35(29)21-23-9-11-26(32)12-10-23;1-20(22-10-14-31-15-11-22)32-28(35)23-12-16-33(17-13-23)29(36)27-18-24-4-2-3-5-26(24)34(27)19-21-6-8-25(30)9-7-21;30-25-9-7-22(8-10-25)20-34-26-6-2-1-5-24(26)18-27(34)29(36)33-16-12-23(13-17-33)28(35)32-15-11-21-4-3-14-31-19-21/h1-10,13,20-21,26H,11-12,14-19,22-23H2;2-12,19-20,24H,13-18,21H2,1H3,(H,33,36);2-11,14-15,18,20,23H,12-13,16-17,19H2,1H3,(H,32,35);1-10,14,18-19,23H,11-13,15-17,20H2,(H,32,35).
What are the key properties of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide?
1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide has a molecular weight of 2088.24 g/mol, XLogP of 20.91, 27 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 158886185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).