(2S)-N-(1H-indol-5-yl)piperidine-2-carboxamide;hydrochloride

C14H18ClN3O — CID 119702704

IUPAC(2S)-N-(1H-indol-5-yl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2[nH]ccc2c1)[C@@H]1CCCCN1
InChIInChI=1S/C14H17N3O.ClH/c18-14(13-3-1-2-7-15-13)17-11-4-5-12-10(9-11)6-8-16-12;/h4-6,8-9,13,15-16H,1-3,7H2,(H,17,18);1H/t13-;/m0./s1
InChIKeyQULJCCMGNZKNHQ-ZOWNYOTGSA-N
MW279.77 g/mol
LogP2.67
Rot. Bonds2

About (2S)-N-(1H-indol-5-yl)piperidine-2-carboxamide;hydrochloride

(2S)-N-(1H-indol-5-yl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119702704) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is (2S)-N-(1H-indol-5-yl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(1H-indol-5-yl)piperidine-2-carboxamide;hydrochloride
PubChem CID119702704
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name(2S)-N-(1H-indol-5-yl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2[nH]ccc2c1)[C@@H]1CCCCN1
InChIInChI=1S/C14H17N3O.ClH/c18-14(13-3-1-2-7-15-13)17-11-4-5-12-10(9-11)6-8-16-12;/h4-6,8-9,13,15-16H,1-3,7H2,(H,17,18);1H/t13-;/m0./s1
InChIKeyQULJCCMGNZKNHQ-ZOWNYOTGSA-N
XLogP2.67
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide
CID 110744978
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
4-hydroxy-N-(1H-indol-5-yl)pyrrolidine-2-carboxamide
CID 61250261
N-(1H-indol-5-yl)piperidine-3-carboxamide
CID 61248015
(2S)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 119668954
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
(2R)-N-pyridin-4-ylpiperidine-2-carboxamide;dihydrochloride
CID 119827101
(2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride
CID 119670350
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
2-(1H-indol-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974701
N-(4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 56832268
N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119262099

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1H-indol-5-yl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-(1H-indol-5-yl)piperidine-2-carboxamide;hydrochloride (CID 119702704) is (2S)-N-(1H-indol-5-yl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-(1H-indol-5-yl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-(1H-indol-5-yl)piperidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccc2[nH]ccc2c1)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-(1H-indol-5-yl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is QULJCCMGNZKNHQ-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H17N3O.ClH/c18-14(13-3-1-2-7-15-13)17-11-4-5-12-10(9-11)6-8-16-12;/h4-6,8-9,13,15-16H,1-3,7H2,(H,17,18);1H/t13-;/m0./s1.
What are the key properties of (2S)-N-(1H-indol-5-yl)piperidine-2-carboxamide;hydrochloride?
(2S)-N-(1H-indol-5-yl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 279.77 g/mol, XLogP of 2.67, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1H-indol-5-yl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119702704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).