(3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide

C12H19N3O — CID 81134213

IUPAC(3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide
SMILESCc1ccc(C)n1NC(=O)[C@H]1CCCNC1
InChIInChI=1S/C12H19N3O/c1-9-5-6-10(2)15(9)14-12(16)11-4-3-7-13-8-11/h5-6,11,13H,3-4,7-8H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKeyJPLCOIDWDBHHFY-NSHDSACASA-N
MW221.30 g/mol
LogP1.17
Rot. Bonds2

About (3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide

(3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide (PubChem CID 81134213) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide
PubChem CID81134213
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide
SMILESCc1ccc(C)n1NC(=O)[C@H]1CCCNC1
InChIInChI=1S/C12H19N3O/c1-9-5-6-10(2)15(9)14-12(16)11-4-3-7-13-8-11/h5-6,11,13H,3-4,7-8H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKeyJPLCOIDWDBHHFY-NSHDSACASA-N
XLogP1.17
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-pyrrol-1-ylpiperidine-3-carboxamide
CID 81134103
(2S)-N-(2,5-dimethylpyrrol-1-yl)pyrrolidine-2-carboxamide
CID 79100245
N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 43185838
N-(2,5-dimethylpyrrol-1-yl)piperidin-3-amine
CID 79100377
ethane;(3R)-N-methylpiperidine-3-carboxamide
CID 145422305
(3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81140463
N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 61258238
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
N-(2,3,4-trimethylphenyl)piperidine-3-carboxamide
CID 115159866
N-tert-butylpiperidine-3-carboxamide;hydrochloride
CID 56832046
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperidine-3-carboxamide
CID 119275721

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide (CID 81134213) is (3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide is Cc1ccc(C)n1NC(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide?
The InChIKey is JPLCOIDWDBHHFY-NSHDSACASA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-5-6-10(2)15(9)14-12(16)11-4-3-7-13-8-11/h5-6,11,13H,3-4,7-8H2,1-2H3,(H,14,16)/t11-/m0/s1.
What are the key properties of (3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide?
(3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide is sourced from PubChem (CID 81134213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).