1-(benzenesulfonyl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide

C25H28N4O3S — CID 55863203

IUPAC1-(benzenesulfonyl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1nn(-c2ccccc2)c2c1CCC2)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C25H28N4O3S/c30-25(19-14-16-28(17-15-19)33(31,32)21-10-5-2-6-11-21)26-18-23-22-12-7-13-24(22)29(27-23)20-8-3-1-4-9-20/h1-6,8-11,19H,7,12-18H2,(H,26,30)
InChIKeyINEDIBROMILHPS-UHFFFAOYSA-N
MW464.59 g/mol
LogP3.08
Rot. Bonds6

About 1-(benzenesulfonyl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide (PubChem CID 55863203) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide
PubChem CID55863203
Molecular FormulaC25H28N4O3S
Molecular Weight464.59 g/mol
Exact Mass464.19
IUPAC Name1-(benzenesulfonyl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1nn(-c2ccccc2)c2c1CCC2)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C25H28N4O3S/c30-25(19-14-16-28(17-15-19)33(31,32)21-10-5-2-6-11-21)26-18-23-22-12-7-13-24(22)29(27-23)20-8-3-1-4-9-20/h1-6,8-11,19H,7,12-18H2,(H,26,30)
InChIKeyINEDIBROMILHPS-UHFFFAOYSA-N
XLogP3.08
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 55862319
N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119297684
1-(benzenesulfonyl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 55723344
1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 28561875
1-(benzenesulfonyl)-N-(pyridin-1-ium-2-ylmethyl)piperidine-4-carboxamide
CID 5054302
N-(3-ethoxypropyl)-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide
CID 49230064
N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiomorpholine-4-carboxamide
CID 71938738
1-(benzenesulfonyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 18110259
1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 119904476
1-(benzenesulfonyl)-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 100645070
6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1H-pyridazine-3-carboxamide
CID 60526390
3-benzamido-4-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]benzamide
CID 55862192

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide (CID 55863203) is 1-(benzenesulfonyl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide is O=C(NCc1nn(-c2ccccc2)c2c1CCC2)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide?
The InChIKey is INEDIBROMILHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3S/c30-25(19-14-16-28(17-15-19)33(31,32)21-10-5-2-6-11-21)26-18-23-22-12-7-13-24(22)29(27-23)20-8-3-1-4-9-20/h1-6,8-11,19H,7,12-18H2,(H,26,30).
What are the key properties of 1-(benzenesulfonyl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide has a molecular weight of 464.59 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55863203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).