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

C89H88Cl3FN10O7 — CID 158325136

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-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(C(=O)c3cc4ccccc4n3Cc3ccc(Cl)cc3)CC2)cc1.O=C(NCCc1ccc(F)cc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.O=C(NCc1cccnc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C31H32ClN3O3.C30H29ClFN3O2.C28H27ClN4O2/c1-38-27-12-8-22(9-13-27)14-17-33-30(36)24-15-18-34(19-16-24)31(37)29-20-25-4-2-3-5-28(25)35(29)21-23-6-10-26(32)11-7-23;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;29-24-9-7-20(8-10-24)19-33-25-6-2-1-5-23(25)16-26(33)28(35)32-14-11-22(12-15-32)27(34)31-18-21-4-3-13-30-17-21/h2-13,20,24H,14-19,21H2,1H3,(H,33,36);1-12,19,23H,13-18,20H2,(H,33,36);1-10,13,16-17,22H,11-12,14-15,18-19H2,(H,31,34)
InChIKeyGPHUZICKUYAHOC-UHFFFAOYSA-N
MW1535.10 g/mol
LogP16.16
Rot. Bonds21

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-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(pyridin-3-ylmethyl)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-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 158325136) has the molecular formula C89H88Cl3FN10O7 and a molecular weight of 1535.10 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-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(pyridin-3-ylmethyl)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-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID158325136
Molecular FormulaC89H88Cl3FN10O7
Molecular Weight1535.10 g/mol
Exact Mass1532.59
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-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(C(=O)c3cc4ccccc4n3Cc3ccc(Cl)cc3)CC2)cc1.O=C(NCCc1ccc(F)cc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.O=C(NCc1cccnc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C31H32ClN3O3.C30H29ClFN3O2.C28H27ClN4O2/c1-38-27-12-8-22(9-13-27)14-17-33-30(36)24-15-18-34(19-16-24)31(37)29-20-25-4-2-3-5-28(25)35(29)21-23-6-10-26(32)11-7-23;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;29-24-9-7-20(8-10-24)19-33-25-6-2-1-5-23(25)16-26(33)28(35)32-14-11-22(12-15-32)27(34)31-18-21-4-3-13-30-17-21/h2-13,20,24H,14-19,21H2,1H3,(H,33,36);1-12,19,23H,13-18,20H2,(H,33,36);1-10,13,16-17,22H,11-12,14-15,18-19H2,(H,31,34)
InChIKeyGPHUZICKUYAHOC-UHFFFAOYSA-N
XLogP16.16
TPSA185.14 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001535.10
LogP ≤ 516.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(pyridin-3-ylmethyl)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-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(pyridin-3-ylmethyl)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-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 158325136) 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-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(pyridin-3-ylmethyl)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-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(pyridin-3-ylmethyl)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-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is COc1ccc(CCNC(=O)C2CCN(C(=O)c3cc4ccccc4n3Cc3ccc(Cl)cc3)CC2)cc1.O=C(NCCc1ccc(F)cc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.O=C(NCc1cccnc1)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-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is GPHUZICKUYAHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32ClN3O3.C30H29ClFN3O2.C28H27ClN4O2/c1-38-27-12-8-22(9-13-27)14-17-33-30(36)24-15-18-34(19-16-24)31(37)29-20-25-4-2-3-5-28(25)35(29)21-23-6-10-26(32)11-7-23;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;29-24-9-7-20(8-10-24)19-33-25-6-2-1-5-23(25)16-26(33)28(35)32-14-11-22(12-15-32)27(34)31-18-21-4-3-13-30-17-21/h2-13,20,24H,14-19,21H2,1H3,(H,33,36);1-12,19,23H,13-18,20H2,(H,33,36);1-10,13,16-17,22H,11-12,14-15,18-19H2,(H,31,34).
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-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(pyridin-3-ylmethyl)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-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 1535.10 g/mol, XLogP of 16.16, 21 rotatable bonds, 3 hydrogen bond donors, and 11 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-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 158325136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).