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

C31H33ClN4O2 — CID 72736889

IUPAC1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-methyl-1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide
SMILESCC(C)(Cc1ccncc1)NC(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C31H33ClN4O2/c1-31(2,20-22-11-15-33-16-12-22)34-29(37)24-13-17-35(18-14-24)30(38)28-19-25-5-3-4-6-27(25)36(28)21-23-7-9-26(32)10-8-23/h3-12,15-16,19,24H,13-14,17-18,20-21H2,1-2H3,(H,34,37)
InChIKeyARWKNJZXKQKIAL-UHFFFAOYSA-N
MW529.08 g/mol
LogP5.73
Rot. Bonds7

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

1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-methyl-1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide (PubChem CID 72736889) has the molecular formula C31H33ClN4O2 and a molecular weight of 529.08 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-methyl-1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-methyl-1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide
PubChem CID72736889
Molecular FormulaC31H33ClN4O2
Molecular Weight529.08 g/mol
Exact Mass528.23
IUPAC Name1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-methyl-1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide
SMILESCC(C)(Cc1ccncc1)NC(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C31H33ClN4O2/c1-31(2,20-22-11-15-33-16-12-22)34-29(37)24-13-17-35(18-14-24)30(38)28-19-25-5-3-4-6-27(25)36(28)21-23-7-9-26(32)10-8-23/h3-12,15-16,19,24H,13-14,17-18,20-21H2,1-2H3,(H,34,37)
InChIKeyARWKNJZXKQKIAL-UHFFFAOYSA-N
XLogP5.73
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.08
LogP ≤ 55.73
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-methyl-1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-methyl-1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide (CID 72736889) is 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-methyl-1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-methyl-1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-methyl-1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide is CC(C)(Cc1ccncc1)NC(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-methyl-1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide?
The InChIKey is ARWKNJZXKQKIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33ClN4O2/c1-31(2,20-22-11-15-33-16-12-22)34-29(37)24-13-17-35(18-14-24)30(38)28-19-25-5-3-4-6-27(25)36(28)21-23-7-9-26(32)10-8-23/h3-12,15-16,19,24H,13-14,17-18,20-21H2,1-2H3,(H,34,37).
What are the key properties of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-methyl-1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide?
1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-methyl-1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide has a molecular weight of 529.08 g/mol, XLogP of 5.73, 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-methyl-1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 72736889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).