(3R)-1-(1H-indole-2-carbonyl)-N-phenylpiperidine-3-carboxamide

C21H21N3O2 — CID 41129779

IUPAC(3R)-1-(1H-indole-2-carbonyl)-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C21H21N3O2/c25-20(22-17-9-2-1-3-10-17)16-8-6-12-24(14-16)21(26)19-13-15-7-4-5-11-18(15)23-19/h1-5,7,9-11,13,16,23H,6,8,12,14H2,(H,22,25)/t16-/m1/s1
InChIKeyJYYFQCHNSLEZAJ-MRXNPFEDSA-N
MW347.42 g/mol
LogP3.66
Rot. Bonds3

About (3R)-1-(1H-indole-2-carbonyl)-N-phenylpiperidine-3-carboxamide

(3R)-1-(1H-indole-2-carbonyl)-N-phenylpiperidine-3-carboxamide (PubChem CID 41129779) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is (3R)-1-(1H-indole-2-carbonyl)-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(1H-indole-2-carbonyl)-N-phenylpiperidine-3-carboxamide
PubChem CID41129779
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name(3R)-1-(1H-indole-2-carbonyl)-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C21H21N3O2/c25-20(22-17-9-2-1-3-10-17)16-8-6-12-24(14-16)21(26)19-13-15-7-4-5-11-18(15)23-19/h1-5,7,9-11,13,16,23H,6,8,12,14H2,(H,22,25)/t16-/m1/s1
InChIKeyJYYFQCHNSLEZAJ-MRXNPFEDSA-N
XLogP3.66
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetamidophenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide
CID 42649922
N-(2,4-dimethoxyphenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide
CID 42649283
methyl 2-[[(3R)-1-(1H-indole-2-carbonyl)piperidine-3-carbonyl]amino]acetate
CID 42571173
(3R)-1-(cyclopentanecarbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 26401813
ethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate
CID 29206160
1-(2-oxo-1H-pyridine-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 16872669
1-(furan-2-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 45211848
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 62349587
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
N-[3-(1H-indol-2-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 45220000

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1H-indole-2-carbonyl)-N-phenylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(1H-indole-2-carbonyl)-N-phenylpiperidine-3-carboxamide (CID 41129779) is (3R)-1-(1H-indole-2-carbonyl)-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(1H-indole-2-carbonyl)-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(1H-indole-2-carbonyl)-N-phenylpiperidine-3-carboxamide is O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1.
What is the InChIKey of (3R)-1-(1H-indole-2-carbonyl)-N-phenylpiperidine-3-carboxamide?
The InChIKey is JYYFQCHNSLEZAJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-20(22-17-9-2-1-3-10-17)16-8-6-12-24(14-16)21(26)19-13-15-7-4-5-11-18(15)23-19/h1-5,7,9-11,13,16,23H,6,8,12,14H2,(H,22,25)/t16-/m1/s1.
What are the key properties of (3R)-1-(1H-indole-2-carbonyl)-N-phenylpiperidine-3-carboxamide?
(3R)-1-(1H-indole-2-carbonyl)-N-phenylpiperidine-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1H-indole-2-carbonyl)-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 41129779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).