[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(2S)-1-methylsulfonylpiperidin-2-yl]methanone

C15H24N4O3S — CID 100856759

IUPAC[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(2S)-1-methylsulfonylpiperidin-2-yl]methanone
SMILESCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCC[C@@H](n2ccnc2)C1
InChIInChI=1S/C15H24N4O3S/c1-23(21,22)19-9-3-2-6-14(19)15(20)17-8-4-5-13(11-17)18-10-7-16-12-18/h7,10,12-14H,2-6,8-9,11H2,1H3/t13-,14+/m1/s1
InChIKeyCKXWZLNCICURKH-KGLIPLIRSA-N
MW340.45 g/mol
LogP0.86
Rot. Bonds3

About [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(2S)-1-methylsulfonylpiperidin-2-yl]methanone

[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(2S)-1-methylsulfonylpiperidin-2-yl]methanone (PubChem CID 100856759) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(2S)-1-methylsulfonylpiperidin-2-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(2S)-1-methylsulfonylpiperidin-2-yl]methanone
PubChem CID100856759
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(2S)-1-methylsulfonylpiperidin-2-yl]methanone
SMILESCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCC[C@@H](n2ccnc2)C1
InChIInChI=1S/C15H24N4O3S/c1-23(21,22)19-9-3-2-6-14(19)15(20)17-8-4-5-13(11-17)18-10-7-16-12-18/h7,10,12-14H,2-6,8-9,11H2,1H3/t13-,14+/m1/s1
InChIKeyCKXWZLNCICURKH-KGLIPLIRSA-N
XLogP0.86
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-methylsulfonylpiperidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100840617
[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(2R)-1-methylsulfonylpyrrolidin-2-yl]methanone
CID 95606419
(3S)-1-(1-methylsulfonylpiperidine-2-carbonyl)piperidine-3-carboxylic acid
CID 81119956
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanone
CID 95341230
[(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylsulfonylpiperidin-2-yl)methanone
CID 79030040
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-propan-2-ylsulfonylethanone
CID 95345962
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
CID 95341948
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(2R)-1-methylsulfonylpiperidin-2-yl]methanone
CID 125146980
N-[(1S)-1-cyclopentyl-2-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-oxoethyl]acetamide
CID 95313828
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 95314596
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-2-yl)methanone
CID 55065507
(1-methylsulfonylpyrrolidin-2-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone
CID 56916054

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(2S)-1-methylsulfonylpiperidin-2-yl]methanone?
The IUPAC name of [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(2S)-1-methylsulfonylpiperidin-2-yl]methanone (CID 100856759) is [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(2S)-1-methylsulfonylpiperidin-2-yl]methanone.
What is the SMILES notation for [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(2S)-1-methylsulfonylpiperidin-2-yl]methanone?
The canonical SMILES for [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(2S)-1-methylsulfonylpiperidin-2-yl]methanone is CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCC[C@@H](n2ccnc2)C1.
What is the InChIKey of [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(2S)-1-methylsulfonylpiperidin-2-yl]methanone?
The InChIKey is CKXWZLNCICURKH-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-23(21,22)19-9-3-2-6-14(19)15(20)17-8-4-5-13(11-17)18-10-7-16-12-18/h7,10,12-14H,2-6,8-9,11H2,1H3/t13-,14+/m1/s1.
What are the key properties of [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(2S)-1-methylsulfonylpiperidin-2-yl]methanone?
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(2S)-1-methylsulfonylpiperidin-2-yl]methanone has a molecular weight of 340.45 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(2S)-1-methylsulfonylpiperidin-2-yl]methanone is sourced from PubChem (CID 100856759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).