N-[4-(1H-imidazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide

C16H20N4O3S — CID 110726535

IUPACN-[4-(1H-imidazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)CC1
InChIInChI=1S/C16H20N4O3S/c1-24(22,23)20-10-6-13(7-11-20)16(21)19-14-4-2-12(3-5-14)15-17-8-9-18-15/h2-5,8-9,13H,6-7,10-11H2,1H3,(H,17,18)(H,19,21)
InChIKeyUKHFAJFHQSLMKU-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.69
Rot. Bonds4

About N-[4-(1H-imidazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[4-(1H-imidazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 110726535) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[4-(1H-imidazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-imidazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID110726535
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-[4-(1H-imidazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)CC1
InChIInChI=1S/C16H20N4O3S/c1-24(22,23)20-10-6-13(7-11-20)16(21)19-14-4-2-12(3-5-14)15-17-8-9-18-15/h2-5,8-9,13H,6-7,10-11H2,1H3,(H,17,18)(H,19,21)
InChIKeyUKHFAJFHQSLMKU-UHFFFAOYSA-N
XLogP1.69
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1H-imidazol-2-yl)phenyl]piperidine-3-carboxamide
CID 110471952
N-(1H-indol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 110730828
N-(4-carbamoylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 1081285
N-[4-(1H-imidazol-2-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 60613372
2-hydroxy-N-[4-(1H-imidazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 110014390
1-methylsulfonyl-N-(4-pyrrol-1-ylphenyl)piperidine-4-carboxamide
CID 110726347
N-[2-(dimethylamino)pyrimidin-5-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 122297890
1-methylsulfonyl-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 1082619
4-hydroxy-N-[4-(1H-imidazol-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 119871848
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603455
N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17453629
1-methylsulfonyl-N-pyrazolo[1,5-a]pyridin-5-ylpiperidine-4-carboxamide
CID 91629374

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-imidazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(1H-imidazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 110726535) is N-[4-(1H-imidazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(1H-imidazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(1H-imidazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)CC1.
What is the InChIKey of N-[4-(1H-imidazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is UKHFAJFHQSLMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-24(22,23)20-10-6-13(7-11-20)16(21)19-14-4-2-12(3-5-14)15-17-8-9-18-15/h2-5,8-9,13H,6-7,10-11H2,1H3,(H,17,18)(H,19,21).
What are the key properties of N-[4-(1H-imidazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[4-(1H-imidazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-imidazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 110726535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).