1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide

C30H31ClN4O2 — CID 66571338

IUPAC1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide
SMILESCC(CNC(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1)c1ccncc1
InChIInChI=1S/C30H31ClN4O2/c1-21(23-10-14-32-15-11-23)19-33-29(36)24-12-16-34(17-13-24)30(37)28-18-25-4-2-3-5-27(25)35(28)20-22-6-8-26(31)9-7-22/h2-11,14-15,18,21,24H,12-13,16-17,19-20H2,1H3,(H,33,36)
InChIKeyJHIULVBNORSEOR-UHFFFAOYSA-N
MW515.06 g/mol
LogP5.51
Rot. Bonds7

About 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide

1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide (PubChem CID 66571338) has the molecular formula C30H31ClN4O2 and a molecular weight of 515.06 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide
PubChem CID66571338
Molecular FormulaC30H31ClN4O2
Molecular Weight515.06 g/mol
Exact Mass514.21
IUPAC Name1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide
SMILESCC(CNC(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1)c1ccncc1
InChIInChI=1S/C30H31ClN4O2/c1-21(23-10-14-32-15-11-23)19-33-29(36)24-12-16-34(17-13-24)30(37)28-18-25-4-2-3-5-27(25)35(28)20-22-6-8-26(31)9-7-22/h2-11,14-15,18,21,24H,12-13,16-17,19-20H2,1H3,(H,33,36)
InChIKeyJHIULVBNORSEOR-UHFFFAOYSA-N
XLogP5.51
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.06
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide (CID 66571338) is 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide is CC(CNC(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1)c1ccncc1.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide?
The InChIKey is JHIULVBNORSEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN4O2/c1-21(23-10-14-32-15-11-23)19-33-29(36)24-12-16-34(17-13-24)30(37)28-18-25-4-2-3-5-27(25)35(28)20-22-6-8-26(31)9-7-22/h2-11,14-15,18,21,24H,12-13,16-17,19-20H2,1H3,(H,33,36).
What are the key properties of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide?
1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide has a molecular weight of 515.06 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 66571338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).