3H-benzimidazol-5-yl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone

C15H19N3O3S — CID 110745920

IUPAC3H-benzimidazol-5-yl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
SMILESCS(=O)(=O)CC1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C15H19N3O3S/c1-22(20,21)9-11-4-6-18(7-5-11)15(19)12-2-3-13-14(8-12)17-10-16-13/h2-3,8,10-11H,4-7,9H2,1H3,(H,16,17)
InChIKeyCDYPWGVGHMCXKL-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.46
Rot. Bonds3

About 3H-benzimidazol-5-yl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone

3H-benzimidazol-5-yl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone (PubChem CID 110745920) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
PubChem CID110745920
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name3H-benzimidazol-5-yl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
SMILESCS(=O)(=O)CC1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C15H19N3O3S/c1-22(20,21)9-11-4-6-18(7-5-11)15(19)12-2-3-13-14(8-12)17-10-16-13/h2-3,8,10-11H,4-7,9H2,1H3,(H,16,17)
InChIKeyCDYPWGVGHMCXKL-UHFFFAOYSA-N
XLogP1.46
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90586479
3H-benzimidazol-5-yl-[4-(phenylsulfanylmethyl)piperidin-1-yl]methanone
CID 110672466
3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
CID 18847527
N-[[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide
CID 108932762
3H-benzimidazol-5-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591860
1-[4-(3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60712264
1-(3H-benzimidazole-5-carbonyl)piperidin-4-one
CID 110483748
1-(3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63007156
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110821514
3-[[1-(3H-benzimidazole-5-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 56886998
3H-benzimidazol-5-yl-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone
CID 90590552
(3-aminopiperidin-1-yl)-(3H-benzimidazol-5-yl)methanone
CID 61296468

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone?
The IUPAC name of 3H-benzimidazol-5-yl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone (CID 110745920) is 3H-benzimidazol-5-yl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone is CS(=O)(=O)CC1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1.
What is the InChIKey of 3H-benzimidazol-5-yl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone?
The InChIKey is CDYPWGVGHMCXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-22(20,21)9-11-4-6-18(7-5-11)15(19)12-2-3-13-14(8-12)17-10-16-13/h2-3,8,10-11H,4-7,9H2,1H3,(H,16,17).
What are the key properties of 3H-benzimidazol-5-yl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone?
3H-benzimidazol-5-yl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone has a molecular weight of 321.40 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110745920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).