(1-methylsulfonylpiperidin-4-yl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone

C16H22N2O4S — CID 110740447

IUPAC(1-methylsulfonylpiperidin-4-yl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2COC(c3ccccc3)C2)CC1
InChIInChI=1S/C16H22N2O4S/c1-23(20,21)18-9-7-14(8-10-18)16(19)17-11-15(22-12-17)13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3
InChIKeyYMPCDHLKEROEKL-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.22
Rot. Bonds3

About (1-methylsulfonylpiperidin-4-yl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone

(1-methylsulfonylpiperidin-4-yl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone (PubChem CID 110740447) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is (1-methylsulfonylpiperidin-4-yl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone.

Molecular Properties

Compound Name(1-methylsulfonylpiperidin-4-yl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone
PubChem CID110740447
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name(1-methylsulfonylpiperidin-4-yl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2COC(c3ccccc3)C2)CC1
InChIInChI=1S/C16H22N2O4S/c1-23(20,21)18-9-7-14(8-10-18)16(19)17-11-15(22-12-17)13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3
InChIKeyYMPCDHLKEROEKL-UHFFFAOYSA-N
XLogP1.22
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-3-phenylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110418535
[4-(benzenesulfonyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 26020158
[(2S,6R)-2-methyl-6-phenylpiperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 96535829
[5-methyl-2-(4-methylphenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110369501
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1-ethylsulfonylpiperidin-4-yl)methanone
CID 120748068
N-phenyl-4-(2-phenylmorpholine-4-carbonyl)piperidine-1-carboxamide
CID 128925946
(1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 91624928
[3-methyl-4-(2-phenylethyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110658199
[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 119099897
[4-[methoxy(phenyl)methyl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110357823
1-(1-methylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 43171029
(1-methylsulfonylpiperidin-4-yl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
CID 90505242

Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylpiperidin-4-yl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone?
The IUPAC name of (1-methylsulfonylpiperidin-4-yl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone (CID 110740447) is (1-methylsulfonylpiperidin-4-yl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone.
What is the SMILES notation for (1-methylsulfonylpiperidin-4-yl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone?
The canonical SMILES for (1-methylsulfonylpiperidin-4-yl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone is CS(=O)(=O)N1CCC(C(=O)N2COC(c3ccccc3)C2)CC1.
What is the InChIKey of (1-methylsulfonylpiperidin-4-yl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone?
The InChIKey is YMPCDHLKEROEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-23(20,21)18-9-7-14(8-10-18)16(19)17-11-15(22-12-17)13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3.
What are the key properties of (1-methylsulfonylpiperidin-4-yl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone?
(1-methylsulfonylpiperidin-4-yl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone has a molecular weight of 338.43 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylpiperidin-4-yl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone is sourced from PubChem (CID 110740447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).