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

C20H28N4O3S — CID 5309447

IUPACN-benzyl-N-butyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
SMILESCCCCN(Cc1ccccc1)C(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C20H28N4O3S/c1-2-3-11-23(14-17-8-5-4-6-9-17)20(25)18-10-7-12-24(15-18)28(26,27)19-13-21-16-22-19/h4-6,8-9,13,16,18H,2-3,7,10-12,14-15H2,1H3,(H,21,22)
InChIKeyMWWCQQFVBFOVTL-UHFFFAOYSA-N
MW404.54 g/mol
LogP2.64
Rot. Bonds8

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

N-benzyl-N-butyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide (PubChem CID 5309447) has the molecular formula C20H28N4O3S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-benzyl-N-butyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-butyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
PubChem CID5309447
Molecular FormulaC20H28N4O3S
Molecular Weight404.54 g/mol
Exact Mass404.19
IUPAC NameN-benzyl-N-butyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
SMILESCCCCN(Cc1ccccc1)C(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C20H28N4O3S/c1-2-3-11-23(14-17-8-5-4-6-9-17)20(25)18-10-7-12-24(15-18)28(26,27)19-13-21-16-22-19/h4-6,8-9,13,16,18H,2-3,7,10-12,14-15H2,1H3,(H,21,22)
InChIKeyMWWCQQFVBFOVTL-UHFFFAOYSA-N
XLogP2.64
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide
CID 2998740
N~2~-(1H-imidazol-4-ylsulfonyl)-N~2~-methyl-N~1~-(3-methylphenyl)glycinamide
CID 3238708
[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-(4-bromo-3-methylphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
CID 5307616

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The IUPAC name of N-benzyl-N-butyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide (CID 5309447) is N-benzyl-N-butyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-butyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The canonical SMILES for N-benzyl-N-butyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide is CCCCN(Cc1ccccc1)C(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1.
What is the InChIKey of N-benzyl-N-butyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The InChIKey is MWWCQQFVBFOVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3S/c1-2-3-11-23(14-17-8-5-4-6-9-17)20(25)18-10-7-12-24(15-18)28(26,27)19-13-21-16-22-19/h4-6,8-9,13,16,18H,2-3,7,10-12,14-15H2,1H3,(H,21,22).
What are the key properties of N-benzyl-N-butyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
N-benzyl-N-butyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide has a molecular weight of 404.54 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 5309447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).