1-(1H-indole-3-carbonyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

C21H22N4O2 — CID 56727584

IUPAC1-(1H-indole-3-carbonyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccncc1)C1CCCN(C(=O)c2c[nH]c3ccccc23)C1
InChIInChI=1S/C21H22N4O2/c26-20(24-12-15-7-9-22-10-8-15)16-4-3-11-25(14-16)21(27)18-13-23-19-6-2-1-5-17(18)19/h1-2,5-10,13,16,23H,3-4,11-12,14H2,(H,24,26)
InChIKeyYAMBFNBHLTUSFK-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.73
Rot. Bonds4

About 1-(1H-indole-3-carbonyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

1-(1H-indole-3-carbonyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide (PubChem CID 56727584) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-(1H-indole-3-carbonyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1H-indole-3-carbonyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
PubChem CID56727584
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-(1H-indole-3-carbonyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccncc1)C1CCCN(C(=O)c2c[nH]c3ccccc23)C1
InChIInChI=1S/C21H22N4O2/c26-20(24-12-15-7-9-22-10-8-15)16-4-3-11-25(14-16)21(27)18-13-23-19-6-2-1-5-17(18)19/h1-2,5-10,13,16,23H,3-4,11-12,14H2,(H,24,26)
InChIKeyYAMBFNBHLTUSFK-UHFFFAOYSA-N
XLogP2.73
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 50804043
(3S)-1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94082445
(3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 96568235
tert-butyl 3-(pyridin-4-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 51253317
1-(2-chlorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 50804467
(3S)-N-[(2-chlorophenyl)methyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 40899994
1-(naphthalene-1-carbonyl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 17465771
N-benzyl-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide
CID 42783454
ethyl (3S)-1-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate
CID 95377022
N-(2-aminoethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119480900
(3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 113253973
N-[(4-acetamidophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 24628963

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indole-3-carbonyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1H-indole-3-carbonyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide (CID 56727584) is 1-(1H-indole-3-carbonyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1H-indole-3-carbonyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1H-indole-3-carbonyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide is O=C(NCc1ccncc1)C1CCCN(C(=O)c2c[nH]c3ccccc23)C1.
What is the InChIKey of 1-(1H-indole-3-carbonyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The InChIKey is YAMBFNBHLTUSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-20(24-12-15-7-9-22-10-8-15)16-4-3-11-25(14-16)21(27)18-13-23-19-6-2-1-5-17(18)19/h1-2,5-10,13,16,23H,3-4,11-12,14H2,(H,24,26).
What are the key properties of 1-(1H-indole-3-carbonyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
1-(1H-indole-3-carbonyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indole-3-carbonyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 56727584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).