N-(3H-benzimidazol-5-ylmethyl)-1-methylsulfonylpiperidine-4-carboxamide

C15H20N4O3S — CID 110785482

IUPACN-(3H-benzimidazol-5-ylmethyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCc2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C15H20N4O3S/c1-23(21,22)19-6-4-12(5-7-19)15(20)16-9-11-2-3-13-14(8-11)18-10-17-13/h2-3,8,10,12H,4-7,9H2,1H3,(H,16,20)(H,17,18)
InChIKeyIWUMAZTXXZEPQO-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.85
Rot. Bonds4

About N-(3H-benzimidazol-5-ylmethyl)-1-methylsulfonylpiperidine-4-carboxamide

N-(3H-benzimidazol-5-ylmethyl)-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 110785482) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-ylmethyl)-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-ylmethyl)-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID110785482
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-(3H-benzimidazol-5-ylmethyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCc2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C15H20N4O3S/c1-23(21,22)19-6-4-12(5-7-19)15(20)16-9-11-2-3-13-14(8-11)18-10-17-13/h2-3,8,10,12H,4-7,9H2,1H3,(H,16,20)(H,17,18)
InChIKeyIWUMAZTXXZEPQO-UHFFFAOYSA-N
XLogP0.85
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 126431332
N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603278
1-methylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 50946769
N-(3H-benzimidazol-5-ylmethyl)-2-[(2R)-1-methylpiperidin-2-yl]acetamide
CID 126451275
N-(3H-benzimidazol-5-ylmethyl)piperidine-2-carboxamide
CID 110482372
N-[(3-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 5123401
(4R)-N-(3H-benzimidazol-5-ylmethyl)-4-pyrrolidin-1-ylpentanamide
CID 126453026
methyl 2-(3H-benzimidazol-5-ylmethylamino)-2-oxoacetate
CID 115142411
N-(3H-benzimidazol-5-ylmethyl)carbamoyl chloride
CID 115194686
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 47002026
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 47042053
1-methylsulfonyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 30087660

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-1-methylsulfonylpiperidine-4-carboxamide (CID 110785482) is N-(3H-benzimidazol-5-ylmethyl)-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3H-benzimidazol-5-ylmethyl)-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3H-benzimidazol-5-ylmethyl)-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCc2ccc3nc[nH]c3c2)CC1.
What is the InChIKey of N-(3H-benzimidazol-5-ylmethyl)-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is IWUMAZTXXZEPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-23(21,22)19-6-4-12(5-7-19)15(20)16-9-11-2-3-13-14(8-11)18-10-17-13/h2-3,8,10,12H,4-7,9H2,1H3,(H,16,20)(H,17,18).
What are the key properties of N-(3H-benzimidazol-5-ylmethyl)-1-methylsulfonylpiperidine-4-carboxamide?
N-(3H-benzimidazol-5-ylmethyl)-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-ylmethyl)-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 110785482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).