[(2S,6R)-2-methyl-6-phenylpiperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone

C19H28N2O3S — CID 96535829

IUPAC[(2S,6R)-2-methyl-6-phenylpiperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESC[C@H]1CCC[C@H](c2ccccc2)N1C(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C19H28N2O3S/c1-15-7-6-10-18(16-8-4-3-5-9-16)21(15)19(22)17-11-13-20(14-12-17)25(2,23)24/h3-5,8-9,15,17-18H,6-7,10-14H2,1-2H3/t15-,18+/m0/s1
InChIKeyWXBVPIZJJSXXHZ-MAUKXSAKSA-N
MW364.51 g/mol
LogP2.80
Rot. Bonds3

About [(2S,6R)-2-methyl-6-phenylpiperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone

[(2S,6R)-2-methyl-6-phenylpiperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone (PubChem CID 96535829) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is [(2S,6R)-2-methyl-6-phenylpiperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[(2S,6R)-2-methyl-6-phenylpiperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
PubChem CID96535829
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name[(2S,6R)-2-methyl-6-phenylpiperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESC[C@H]1CCC[C@H](c2ccccc2)N1C(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C19H28N2O3S/c1-15-7-6-10-18(16-8-4-3-5-9-16)21(15)19(22)17-11-13-20(14-12-17)25(2,23)24/h3-5,8-9,15,17-18H,6-7,10-14H2,1-2H3/t15-,18+/m0/s1
InChIKeyWXBVPIZJJSXXHZ-MAUKXSAKSA-N
XLogP2.80
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2S,6R)-2-methyl-6-phenylpiperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone with MolForge

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Related Compounds

(4-methyl-3-phenylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110418535
2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetic acid
CID 164752640
[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
CID 8795472
(1-methylsulfonylpiperidin-4-yl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone
CID 110740447
sodium;1-[(2S,6S)-2-methyl-6-phenylpiperidin-1-yl]ethane-1,2-dione;hydroxide
CID 164753404
(2-methylpyrrolidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110728182
[4-(benzenesulfonyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 26020158
[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone
CID 41293701
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603455
(2,6-dimethylpiperidin-1-yl)-(1-methylsulfonylpiperidin-3-yl)methanone
CID 110700207
[1-(benzenesulfonyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1190400
(1S,14S)-17-(1-methylsulfonylpiperidine-4-carbonyl)-3,11,17-triazatetracyclo[12.2.1.03,12.05,10]heptadeca-5,7,9,11-tetraen-4-one
CID 98058449

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2-methyl-6-phenylpiperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of [(2S,6R)-2-methyl-6-phenylpiperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone (CID 96535829) is [(2S,6R)-2-methyl-6-phenylpiperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for [(2S,6R)-2-methyl-6-phenylpiperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for [(2S,6R)-2-methyl-6-phenylpiperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone is C[C@H]1CCC[C@H](c2ccccc2)N1C(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of [(2S,6R)-2-methyl-6-phenylpiperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The InChIKey is WXBVPIZJJSXXHZ-MAUKXSAKSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-15-7-6-10-18(16-8-4-3-5-9-16)21(15)19(22)17-11-13-20(14-12-17)25(2,23)24/h3-5,8-9,15,17-18H,6-7,10-14H2,1-2H3/t15-,18+/m0/s1.
What are the key properties of [(2S,6R)-2-methyl-6-phenylpiperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
[(2S,6R)-2-methyl-6-phenylpiperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone has a molecular weight of 364.51 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2-methyl-6-phenylpiperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 96535829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).