(3R)-N-cyclopentyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide

C17H28N4O3S — CID 95073466

IUPAC(3R)-N-cyclopentyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCC(C)n1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCCC3)C2)c1
InChIInChI=1S/C17H28N4O3S/c1-13(2)20-11-16(18-12-20)25(23,24)21-9-5-6-14(10-21)17(22)19-15-7-3-4-8-15/h11-15H,3-10H2,1-2H3,(H,19,22)/t14-/m1/s1
InChIKeyMBXDVVFARYNWAF-CQSZACIVSA-N
MW368.50 g/mol
LogP1.92
Rot. Bonds5

About (3R)-N-cyclopentyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide

(3R)-N-cyclopentyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 95073466) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is (3R)-N-cyclopentyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopentyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
PubChem CID95073466
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC Name(3R)-N-cyclopentyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCC(C)n1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCCC3)C2)c1
InChIInChI=1S/C17H28N4O3S/c1-13(2)20-11-16(18-12-20)25(23,24)21-9-5-6-14(10-21)17(22)19-15-7-3-4-8-15/h11-15H,3-10H2,1-2H3,(H,19,22)/t14-/m1/s1
InChIKeyMBXDVVFARYNWAF-CQSZACIVSA-N
XLogP1.92
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(2,5-dimethylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073513
(3S)-N-(2-methylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073508
1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]ethanol
CID 109379638
morpholin-4-yl-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methanone
CID 93069070
N-(3-methylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 53085777
N-(3-bromophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 53085780
(3R)-N-(3-fluoro-4-methylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073543
(4-ethylpiperazin-1-yl)-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methanone
CID 53007851
N-(furan-2-ylmethyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 53085733
(3S)-N-(4-bromo-3-methylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073532
(3S)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073552
(3S)-1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 95073445

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopentyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclopentyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide (CID 95073466) is (3R)-N-cyclopentyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclopentyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclopentyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide is CC(C)n1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCCC3)C2)c1.
What is the InChIKey of (3R)-N-cyclopentyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is MBXDVVFARYNWAF-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-13(2)20-11-16(18-12-20)25(23,24)21-9-5-6-14(10-21)17(22)19-15-7-3-4-8-15/h11-15H,3-10H2,1-2H3,(H,19,22)/t14-/m1/s1.
What are the key properties of (3R)-N-cyclopentyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
(3R)-N-cyclopentyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopentyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 95073466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).