(2S)-N-[4-(cyclopropylcarbamoyl)phenyl]piperidine-2-carboxamide

C16H21N3O2 — CID 103808292

IUPAC(2S)-N-[4-(cyclopropylcarbamoyl)phenyl]piperidine-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(NC(=O)[C@@H]2CCCCN2)cc1
InChIInChI=1S/C16H21N3O2/c20-15(18-13-8-9-13)11-4-6-12(7-5-11)19-16(21)14-3-1-2-10-17-14/h4-7,13-14,17H,1-3,8-10H2,(H,18,20)(H,19,21)/t14-/m0/s1
InChIKeyBSSBLKXMKBUCIL-AWEZNQCLSA-N
MW287.36 g/mol
LogP1.66
Rot. Bonds4

About (2S)-N-[4-(cyclopropylcarbamoyl)phenyl]piperidine-2-carboxamide

(2S)-N-[4-(cyclopropylcarbamoyl)phenyl]piperidine-2-carboxamide (PubChem CID 103808292) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2S)-N-[4-(cyclopropylcarbamoyl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(cyclopropylcarbamoyl)phenyl]piperidine-2-carboxamide
PubChem CID103808292
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(2S)-N-[4-(cyclopropylcarbamoyl)phenyl]piperidine-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(NC(=O)[C@@H]2CCCCN2)cc1
InChIInChI=1S/C16H21N3O2/c20-15(18-13-8-9-13)11-4-6-12(7-5-11)19-16(21)14-3-1-2-10-17-14/h4-7,13-14,17H,1-3,8-10H2,(H,18,20)(H,19,21)/t14-/m0/s1
InChIKeyBSSBLKXMKBUCIL-AWEZNQCLSA-N
XLogP1.66
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyclopropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 43233974
(2R)-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119740054
(2R)-N-[4-(tert-butylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119703073
(2S)-N-[4-(prop-2-enylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119740948
(2R)-N-[4-[(4-chlorobenzoyl)amino]phenyl]pyrrolidine-2-carboxamide
CID 95376963
N-[4-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 43702382
(2R)-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 119885587
N-[4-(cyclopropylcarbamoyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43703990
(2R)-N-[4-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119684891
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
(2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride
CID 119670350
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(cyclopropylcarbamoyl)phenyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[4-(cyclopropylcarbamoyl)phenyl]piperidine-2-carboxamide (CID 103808292) is (2S)-N-[4-(cyclopropylcarbamoyl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-(cyclopropylcarbamoyl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[4-(cyclopropylcarbamoyl)phenyl]piperidine-2-carboxamide is O=C(NC1CC1)c1ccc(NC(=O)[C@@H]2CCCCN2)cc1.
What is the InChIKey of (2S)-N-[4-(cyclopropylcarbamoyl)phenyl]piperidine-2-carboxamide?
The InChIKey is BSSBLKXMKBUCIL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-15(18-13-8-9-13)11-4-6-12(7-5-11)19-16(21)14-3-1-2-10-17-14/h4-7,13-14,17H,1-3,8-10H2,(H,18,20)(H,19,21)/t14-/m0/s1.
What are the key properties of (2S)-N-[4-(cyclopropylcarbamoyl)phenyl]piperidine-2-carboxamide?
(2S)-N-[4-(cyclopropylcarbamoyl)phenyl]piperidine-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(cyclopropylcarbamoyl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 103808292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).