N-benzhydryl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide

C22H24N4O3S — CID 5309962

IUPACN-benzhydryl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C22H24N4O3S/c27-22(19-12-7-13-26(15-19)30(28,29)20-14-23-16-24-20)25-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,14,16,19,21H,7,12-13,15H2,(H,23,24)(H,25,27)
InChIKeyZRMHOMRKKWZJLZ-UHFFFAOYSA-N
MW424.53 g/mol
LogP2.72
Rot. Bonds6

About N-benzhydryl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide

N-benzhydryl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide (PubChem CID 5309962) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-benzhydryl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
PubChem CID5309962
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-benzhydryl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C22H24N4O3S/c27-22(19-12-7-13-26(15-19)30(28,29)20-14-23-16-24-20)25-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,14,16,19,21H,7,12-13,15H2,(H,23,24)(H,25,27)
InChIKeyZRMHOMRKKWZJLZ-UHFFFAOYSA-N
XLogP2.72
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1H-imidazol-4-ylsulfonyl)-3-piperidyl][3-methyl-4-(3-methylphenyl)piperazino]methanone
CID 3239840
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-methyl-1H-imidazole-4-sulfonamide
CID 3240199
N-{2-[benzyl(methyl)amino]ethyl}-1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxamide
CID 3240457
N-{3-[ethyl(3-methylphenyl)amino]propyl}-1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxamide
CID 3241696
N-{3-[ethyl(phenyl)amino]propyl}-1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxamide
CID 3242361
2-{[1-(1H-imidazol-4-ylsulfonyl)piperidin-4-yl]carbonyl}-1,2,3,4-tetrahydroisoquinoline
CID 3243024
1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 5307129
(4-benzylpiperazin-1-yl)-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]methanone
CID 5307287
1-(1H-imidazol-5-ylsulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
CID 5307476
N-{3-[Ethyl(phenyl)amino]propyl}-1-(1H-imidazole-4-sulfonyl)piperidine-3-carboxamide
CID 5307655
1-(1H-imidazol-5-ylsulfonyl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 5308284
1-(1H-imidazol-5-ylsulfonyl)-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide
CID 5308384

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The IUPAC name of N-benzhydryl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide (CID 5309962) is N-benzhydryl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-benzhydryl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The canonical SMILES for N-benzhydryl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1.
What is the InChIKey of N-benzhydryl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The InChIKey is ZRMHOMRKKWZJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c27-22(19-12-7-13-26(15-19)30(28,29)20-14-23-16-24-20)25-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,14,16,19,21H,7,12-13,15H2,(H,23,24)(H,25,27).
What are the key properties of N-benzhydryl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
N-benzhydryl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 5309962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).