1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-fluorophenyl)ethyl]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]-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide

C119H119Cl4FN14O9 — CID 158528021

IUPAC1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-fluorophenyl)ethyl]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]-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(NCCc1ccc(F)cc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.O=C(NCCc1cccnc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C31H32ClN3O3.C30H29ClFN3O2.2C29H29ClN4O2/c1-38-27-7-4-5-22(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;31-25-9-5-22(6-10-25)20-35-27-4-2-1-3-24(27)19-28(35)30(37)34-17-14-23(15-18-34)29(36)33-16-13-21-7-11-26(32)12-8-21;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/h2-12,19-20,24H,13-18,21H2,1H3,(H,33,36);1-12,19,23H,13-18,20H2,(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)
InChIKeyHNAFQXZIJQNCGD-UHFFFAOYSA-N
MW2050.16 g/mol
LogP21.67
Rot. Bonds28

About 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-fluorophenyl)ethyl]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]-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-(4-fluorophenyl)ethyl]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]-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 158528021) has the molecular formula C119H119Cl4FN14O9 and a molecular weight of 2050.16 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-fluorophenyl)ethyl]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]-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-(4-fluorophenyl)ethyl]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]-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 CID158528021
Molecular FormulaC119H119Cl4FN14O9
Molecular Weight2050.16 g/mol
Exact Mass2046.80
IUPAC Name1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-fluorophenyl)ethyl]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]-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(NCCc1ccc(F)cc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.O=C(NCCc1cccnc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C31H32ClN3O3.C30H29ClFN3O2.2C29H29ClN4O2/c1-38-27-7-4-5-22(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;31-25-9-5-22(6-10-25)20-35-27-4-2-1-3-24(27)19-28(35)30(37)34-17-14-23(15-18-34)29(36)33-16-13-21-7-11-26(32)12-8-21;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/h2-12,19-20,24H,13-18,21H2,1H3,(H,33,36);1-12,19,23H,13-18,20H2,(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)
InChIKeyHNAFQXZIJQNCGD-UHFFFAOYSA-N
XLogP21.67
TPSA252.37 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds28
Heavy Atoms147
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002050.16
LogP ≤ 521.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-fluorophenyl)ethyl]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]-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-(4-fluorophenyl)ethyl]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]-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-(4-fluorophenyl)ethyl]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]-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 158528021) is 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-fluorophenyl)ethyl]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]-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-(4-fluorophenyl)ethyl]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]-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-(4-fluorophenyl)ethyl]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]-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(NCCc1ccc(F)cc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.O=C(NCCc1cccnc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-fluorophenyl)ethyl]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]-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 HNAFQXZIJQNCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32ClN3O3.C30H29ClFN3O2.2C29H29ClN4O2/c1-38-27-7-4-5-22(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;31-25-9-5-22(6-10-25)20-35-27-4-2-1-3-24(27)19-28(35)30(37)34-17-14-23(15-18-34)29(36)33-16-13-21-7-11-26(32)12-8-21;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/h2-12,19-20,24H,13-18,21H2,1H3,(H,33,36);1-12,19,23H,13-18,20H2,(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-(4-fluorophenyl)ethyl]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]-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-(4-fluorophenyl)ethyl]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]-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 2050.16 g/mol, XLogP of 21.67, 28 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-fluorophenyl)ethyl]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]-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 158528021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).