1-(4-acetylphenyl)sulfonyl-N-(5-cyclopentyl-1H-pyrazol-3-yl)piperidine-4-carboxamide

C22H28N4O4S — CID 154861241

IUPAC1-(4-acetylphenyl)sulfonyl-N-(5-cyclopentyl-1H-pyrazol-3-yl)piperidine-4-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C4CCCC4)[nH]n3)CC2)cc1
InChIInChI=1S/C22H28N4O4S/c1-15(27)16-6-8-19(9-7-16)31(29,30)26-12-10-18(11-13-26)22(28)23-21-14-20(24-25-21)17-4-2-3-5-17/h6-9,14,17-18H,2-5,10-13H2,1H3,(H2,23,24,25,28)
InChIKeyPKPVDZNUKCJHIY-UHFFFAOYSA-N
MW444.56 g/mol
LogP3.31
Rot. Bonds6

About 1-(4-acetylphenyl)sulfonyl-N-(5-cyclopentyl-1H-pyrazol-3-yl)piperidine-4-carboxamide

1-(4-acetylphenyl)sulfonyl-N-(5-cyclopentyl-1H-pyrazol-3-yl)piperidine-4-carboxamide (PubChem CID 154861241) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is 1-(4-acetylphenyl)sulfonyl-N-(5-cyclopentyl-1H-pyrazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-acetylphenyl)sulfonyl-N-(5-cyclopentyl-1H-pyrazol-3-yl)piperidine-4-carboxamide
PubChem CID154861241
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC Name1-(4-acetylphenyl)sulfonyl-N-(5-cyclopentyl-1H-pyrazol-3-yl)piperidine-4-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C4CCCC4)[nH]n3)CC2)cc1
InChIInChI=1S/C22H28N4O4S/c1-15(27)16-6-8-19(9-7-16)31(29,30)26-12-10-18(11-13-26)22(28)23-21-14-20(24-25-21)17-4-2-3-5-17/h6-9,14,17-18H,2-5,10-13H2,1H3,(H2,23,24,25,28)
InChIKeyPKPVDZNUKCJHIY-UHFFFAOYSA-N
XLogP3.31
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 4205224
1-(4-acetylphenyl)sulfonyl-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 26581253
1-(4-acetylphenyl)sulfonyl-N-(2,5-dichlorophenyl)piperidine-4-carboxamide
CID 26577801
1-(4-acetylphenyl)sulfonyl-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide
CID 26695995
N-(5-cycloheptyl-1H-pyrazol-3-yl)piperidine-4-carboxamide;hydrochloride
CID 119329584
1-(4-acetylphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 27556617
1-(4-acetylphenyl)sulfonyl-N-(3-aminopropyl)piperidine-4-carboxamide
CID 119405399
1-(4-acetylphenyl)sulfonyl-N-[(2R)-3-hydroxy-2-methylpropyl]piperidine-4-carboxamide
CID 97087231
1-(4-acetylphenyl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 55660055
N-(5-cycloheptyl-1H-pyrazol-3-yl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 167960321
1-(4-acetylphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 16548044
methyl 2-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate
CID 30875793

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-(5-cyclopentyl-1H-pyrazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-(5-cyclopentyl-1H-pyrazol-3-yl)piperidine-4-carboxamide (CID 154861241) is 1-(4-acetylphenyl)sulfonyl-N-(5-cyclopentyl-1H-pyrazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-acetylphenyl)sulfonyl-N-(5-cyclopentyl-1H-pyrazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-acetylphenyl)sulfonyl-N-(5-cyclopentyl-1H-pyrazol-3-yl)piperidine-4-carboxamide is CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C4CCCC4)[nH]n3)CC2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)sulfonyl-N-(5-cyclopentyl-1H-pyrazol-3-yl)piperidine-4-carboxamide?
The InChIKey is PKPVDZNUKCJHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S/c1-15(27)16-6-8-19(9-7-16)31(29,30)26-12-10-18(11-13-26)22(28)23-21-14-20(24-25-21)17-4-2-3-5-17/h6-9,14,17-18H,2-5,10-13H2,1H3,(H2,23,24,25,28).
What are the key properties of 1-(4-acetylphenyl)sulfonyl-N-(5-cyclopentyl-1H-pyrazol-3-yl)piperidine-4-carboxamide?
1-(4-acetylphenyl)sulfonyl-N-(5-cyclopentyl-1H-pyrazol-3-yl)piperidine-4-carboxamide has a molecular weight of 444.56 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)sulfonyl-N-(5-cyclopentyl-1H-pyrazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 154861241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).