N-benzyl-1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide

C24H28N4O3S — CID 6621932

IUPACN-benzyl-1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESO=C(C1CCN(S(=O)(=O)c2cnc[nH]2)CC1)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H28N4O3S/c29-24(22-12-15-28(16-13-22)32(30,31)23-17-25-19-26-23)27(18-21-9-5-2-6-10-21)14-11-20-7-3-1-4-8-20/h1-10,17,19,22H,11-16,18H2,(H,25,26)
InChIKeyAZMHRRZVZJYDLK-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.08
Rot. Bonds8

About N-benzyl-1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide

N-benzyl-1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 6621932) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-benzyl-1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID6621932
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC NameN-benzyl-1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESO=C(C1CCN(S(=O)(=O)c2cnc[nH]2)CC1)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H28N4O3S/c29-24(22-12-15-28(16-13-22)32(30,31)23-17-25-19-26-23)27(18-21-9-5-2-6-10-21)14-11-20-7-3-1-4-8-20/h1-10,17,19,22H,11-16,18H2,(H,25,26)
InChIKeyAZMHRRZVZJYDLK-UHFFFAOYSA-N
XLogP3.08
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-{[2-(1H-imidazol-4-ylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
CID 3242435
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-benzyl-1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide (CID 6621932) is N-benzyl-1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide is O=C(C1CCN(S(=O)(=O)c2cnc[nH]2)CC1)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is AZMHRRZVZJYDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c29-24(22-12-15-28(16-13-22)32(30,31)23-17-25-19-26-23)27(18-21-9-5-2-6-10-21)14-11-20-7-3-1-4-8-20/h1-10,17,19,22H,11-16,18H2,(H,25,26).
What are the key properties of N-benzyl-1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide?
N-benzyl-1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 452.58 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 6621932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).