N-[(4-chlorophenyl)methyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide

C16H19ClN4O3S — CID 5309886

IUPACN-[(4-chlorophenyl)methyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C16H19ClN4O3S/c17-14-5-3-12(4-6-14)8-19-16(22)13-2-1-7-21(10-13)25(23,24)15-9-18-11-20-15/h3-6,9,11,13H,1-2,7-8,10H2,(H,18,20)(H,19,22)
InChIKeySJDRRMITZQGUQI-UHFFFAOYSA-N
MW382.87 g/mol
LogP1.78
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide

N-[(4-chlorophenyl)methyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide (PubChem CID 5309886) has the molecular formula C16H19ClN4O3S and a molecular weight of 382.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
PubChem CID5309886
Molecular FormulaC16H19ClN4O3S
Molecular Weight382.87 g/mol
Exact Mass382.09
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C16H19ClN4O3S/c17-14-5-3-12(4-6-14)8-19-16(22)13-2-1-7-21(10-13)25(23,24)15-9-18-11-20-15/h3-6,9,11,13H,1-2,7-8,10H2,(H,18,20)(H,19,22)
InChIKeySJDRRMITZQGUQI-UHFFFAOYSA-N
XLogP1.78
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 51.78
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-[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
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
1-(1H-imidazol-5-ylsulfonyl)-N-(2-methylphenyl)piperidine-3-carboxamide
CID 5308672
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]methanone
CID 5308686

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide (CID 5309886) is N-[(4-chlorophenyl)methyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide is O=C(NCc1ccc(Cl)cc1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The InChIKey is SJDRRMITZQGUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3S/c17-14-5-3-12(4-6-14)8-19-16(22)13-2-1-7-21(10-13)25(23,24)15-9-18-11-20-15/h3-6,9,11,13H,1-2,7-8,10H2,(H,18,20)(H,19,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide has a molecular weight of 382.87 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 5309886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).