N-cyclopentyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide

C16H26N4O3S — CID 110335763

IUPACN-cyclopentyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)NC2CCCC2)C1
InChIInChI=1S/C16H26N4O3S/c1-11-15(12(2)19-18-11)24(22,23)20-9-5-6-13(10-20)16(21)17-14-7-3-4-8-14/h13-14H,3-10H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyQXJGABKVVZOANC-UHFFFAOYSA-N
MW354.48 g/mol
LogP1.49
Rot. Bonds4

About N-cyclopentyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide

N-cyclopentyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide (PubChem CID 110335763) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-cyclopentyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
PubChem CID110335763
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC NameN-cyclopentyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)NC2CCCC2)C1
InChIInChI=1S/C16H26N4O3S/c1-11-15(12(2)19-18-11)24(22,23)20-9-5-6-13(10-20)16(21)17-14-7-3-4-8-14/h13-14H,3-10H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyQXJGABKVVZOANC-UHFFFAOYSA-N
XLogP1.49
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclobutanecarboxamide
CID 110823345
1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]ethanone
CID 63845404
methyl (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 115536279
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 110335758
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 110335805
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110335784
4-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carbonyl]amino]butanoic acid
CID 119352502
(3R)-N-cycloheptyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 40502064
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119514471
N-benzyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 110335778
[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119403670
N-cyclopentyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 3152152

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide (CID 110335763) is N-cyclopentyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide is Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)NC2CCCC2)C1.
What is the InChIKey of N-cyclopentyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The InChIKey is QXJGABKVVZOANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-11-15(12(2)19-18-11)24(22,23)20-9-5-6-13(10-20)16(21)17-14-7-3-4-8-14/h13-14H,3-10H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of N-cyclopentyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide?
N-cyclopentyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 110335763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).