[1-(benzenesulfonyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone

C18H26N2O3S — CID 1190400

IUPAC[1-(benzenesulfonyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H26N2O3S/c1-15-7-5-6-12-20(15)18(21)16-10-13-19(14-11-16)24(22,23)17-8-3-2-4-9-17/h2-4,8-9,15-16H,5-7,10-14H2,1H3/t15-/m1/s1
InChIKeyKFMAJXYCCKGCLM-OAHLLOKOSA-N
MW350.48 g/mol
LogP2.49
Rot. Bonds3

About [1-(benzenesulfonyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone

[1-(benzenesulfonyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone (PubChem CID 1190400) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is [1-(benzenesulfonyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
PubChem CID1190400
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name[1-(benzenesulfonyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H26N2O3S/c1-15-7-5-6-12-20(15)18(21)16-10-13-19(14-11-16)24(22,23)17-8-3-2-4-9-17/h2-4,8-9,15-16H,5-7,10-14H2,1H3/t15-/m1/s1
InChIKeyKFMAJXYCCKGCLM-OAHLLOKOSA-N
XLogP2.49
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-methylpiperidin-1-yl]-[1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanone
CID 1456456
[1-[(2-chloro-3-pyridinyl)sulfonyl]piperidin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 51331040
[1-(benzenesulfonyl)piperidin-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 1190402
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1-(benzenesulfonyl)piperidin-4-yl]methanone
CID 2315531
[4-(benzenesulfonyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 26020158
[(2R)-2-methylpiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 8502455
[(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502448
(2-methylpyrrolidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110728182
[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone
CID 41293701
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
[1-(benzenesulfonyl)piperidin-4-yl]-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 25498568
[1-(benzenesulfonyl)piperidin-4-yl]-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 25498564

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of [1-(benzenesulfonyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone (CID 1190400) is [1-(benzenesulfonyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [1-(benzenesulfonyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for [1-(benzenesulfonyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone is C[C@@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [1-(benzenesulfonyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The InChIKey is KFMAJXYCCKGCLM-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-15-7-5-6-12-20(15)18(21)16-10-13-19(14-11-16)24(22,23)17-8-3-2-4-9-17/h2-4,8-9,15-16H,5-7,10-14H2,1H3/t15-/m1/s1.
What are the key properties of [1-(benzenesulfonyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
[1-(benzenesulfonyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone has a molecular weight of 350.48 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 1190400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).