1-(benzenesulfonyl)-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]piperidine-4-carboxamide

C21H24N4O3S — CID 82253153

IUPAC1-(benzenesulfonyl)-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1C1=NCCN1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H24N4O3S/c26-21(24-19-9-5-4-8-18(19)20-22-12-13-23-20)16-10-14-25(15-11-16)29(27,28)17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,22,23)(H,24,26)
InChIKeyQGPVMJHMKIRIJB-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.08
Rot. Bonds5

About 1-(benzenesulfonyl)-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]piperidine-4-carboxamide (PubChem CID 82253153) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]piperidine-4-carboxamide
PubChem CID82253153
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name1-(benzenesulfonyl)-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1C1=NCCN1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H24N4O3S/c26-21(24-19-9-5-4-8-18(19)20-22-12-13-23-20)16-10-14-25(15-11-16)29(27,28)17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,22,23)(H,24,26)
InChIKeyQGPVMJHMKIRIJB-UHFFFAOYSA-N
XLogP2.08
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(benzenesulfonyl)-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide
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1-(benzenesulfonyl)-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide
CID 26242729
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1-(benzenesulfonyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 6498125
(3R)-1-(benzenesulfonyl)-N-(2-phenylphenyl)piperidine-3-carboxamide
CID 1445014
1-(benzenesulfonyl)-N-(4-bromo-2-fluorophenyl)piperidine-4-carboxamide
CID 4656098
1-(benzenesulfonyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperidine-4-carboxamide
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1-(benzenesulfonyl)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide
CID 19410656
1-(benzenesulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 8831496
1-(4-fluorophenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide
CID 26520187

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]piperidine-4-carboxamide (CID 82253153) is 1-(benzenesulfonyl)-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]piperidine-4-carboxamide is O=C(Nc1ccccc1C1=NCCN1)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is QGPVMJHMKIRIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c26-21(24-19-9-5-4-8-18(19)20-22-12-13-23-20)16-10-14-25(15-11-16)29(27,28)17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,22,23)(H,24,26).
What are the key properties of 1-(benzenesulfonyl)-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 82253153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).