(5-methyl-2-oxooxolan-3-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate

C18H23NO7S — CID 55427768

IUPAC(5-methyl-2-oxooxolan-3-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)OC3CC(C)OC3=O)C2)cc1
InChIInChI=1S/C18H23NO7S/c1-12-10-16(18(21)25-12)26-17(20)13-4-3-9-19(11-13)27(22,23)15-7-5-14(24-2)6-8-15/h5-8,12-13,16H,3-4,9-11H2,1-2H3
InChIKeyYATHKBXXDATZCB-UHFFFAOYSA-N
MW397.45 g/mol
LogP1.34
Rot. Bonds5

About (5-methyl-2-oxooxolan-3-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate

(5-methyl-2-oxooxolan-3-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate (PubChem CID 55427768) has the molecular formula C18H23NO7S and a molecular weight of 397.45 g/mol. Its IUPAC name is (5-methyl-2-oxooxolan-3-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate.

Molecular Properties

Compound Name(5-methyl-2-oxooxolan-3-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
PubChem CID55427768
Molecular FormulaC18H23NO7S
Molecular Weight397.45 g/mol
Exact Mass397.12
IUPAC Name(5-methyl-2-oxooxolan-3-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)OC3CC(C)OC3=O)C2)cc1
InChIInChI=1S/C18H23NO7S/c1-12-10-16(18(21)25-12)26-17(20)13-4-3-9-19(11-13)27(22,23)15-7-5-14(24-2)6-8-15/h5-8,12-13,16H,3-4,9-11H2,1-2H3
InChIKeyYATHKBXXDATZCB-UHFFFAOYSA-N
XLogP1.34
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
(3,5-dimethylpiperidin-1-yl)-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone
CID 51218805
ethyl (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 2205762
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 2931612
[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 40632286
methyl 1-[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 40899596
N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3153026
1-(4-methoxyphenyl)sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 18089763
N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 645701
azepan-1-yl-[1-[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]methanone
CID 45354498
(3S)-N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081603
(cyclohexylamino) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 87924630

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxooxolan-3-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate?
The IUPAC name of (5-methyl-2-oxooxolan-3-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate (CID 55427768) is (5-methyl-2-oxooxolan-3-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate.
What is the SMILES notation for (5-methyl-2-oxooxolan-3-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate?
The canonical SMILES for (5-methyl-2-oxooxolan-3-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate is COc1ccc(S(=O)(=O)N2CCCC(C(=O)OC3CC(C)OC3=O)C2)cc1.
What is the InChIKey of (5-methyl-2-oxooxolan-3-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate?
The InChIKey is YATHKBXXDATZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO7S/c1-12-10-16(18(21)25-12)26-17(20)13-4-3-9-19(11-13)27(22,23)15-7-5-14(24-2)6-8-15/h5-8,12-13,16H,3-4,9-11H2,1-2H3.
What are the key properties of (5-methyl-2-oxooxolan-3-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate?
(5-methyl-2-oxooxolan-3-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate has a molecular weight of 397.45 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-oxooxolan-3-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate is sourced from PubChem (CID 55427768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).