N-[2-[benzyl(methyl)amino]ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide

C19H27N5O3S — CID 3240457

IUPACN-[2-[benzyl(methyl)amino]ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
SMILESCN(CCNC(=O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1)Cc1ccccc1
InChIInChI=1S/C19H27N5O3S/c1-23(14-16-5-3-2-4-6-16)12-9-21-19(25)17-7-10-24(11-8-17)28(26,27)18-13-20-15-22-18/h2-6,13,15,17H,7-12,14H2,1H3,(H,20,22)(H,21,25)
InChIKeyVQHVMYSNCMRMCG-UHFFFAOYSA-N
MW405.52 g/mol
LogP1.06
Rot. Bonds8

About N-[2-[benzyl(methyl)amino]ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide

N-[2-[benzyl(methyl)amino]ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide (PubChem CID 3240457) has the molecular formula C19H27N5O3S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
PubChem CID3240457
Molecular FormulaC19H27N5O3S
Molecular Weight405.52 g/mol
Exact Mass405.18
IUPAC NameN-[2-[benzyl(methyl)amino]ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
SMILESCN(CCNC(=O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1)Cc1ccccc1
InChIInChI=1S/C19H27N5O3S/c1-23(14-16-5-3-2-4-6-16)12-9-21-19(25)17-7-10-24(11-8-17)28(26,27)18-13-20-15-22-18/h2-6,13,15,17H,7-12,14H2,1H3,(H,20,22)(H,21,25)
InChIKeyVQHVMYSNCMRMCG-UHFFFAOYSA-N
XLogP1.06
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide
CID 2998740
N~1~-(3,5-dimethylphenyl)-N~2~-(1H-imidazol-4-ylsulfonyl)-N~2~-methylglycinamide
CID 3238319
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-{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

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide (CID 3240457) is N-[2-[benzyl(methyl)amino]ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide is CN(CCNC(=O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1)Cc1ccccc1.
What is the InChIKey of N-[2-[benzyl(methyl)amino]ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide?
The InChIKey is VQHVMYSNCMRMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S/c1-23(14-16-5-3-2-4-6-16)12-9-21-19(25)17-7-10-24(11-8-17)28(26,27)18-13-20-15-22-18/h2-6,13,15,17H,7-12,14H2,1H3,(H,20,22)(H,21,25).
What are the key properties of N-[2-[benzyl(methyl)amino]ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide?
N-[2-[benzyl(methyl)amino]ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 3240457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).