(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate

C20H28N2O6S — CID 55427969

IUPAC(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)OC(C)C(=O)N3CCCC3)C2)cc1
InChIInChI=1S/C20H28N2O6S/c1-15(19(23)21-11-3-4-12-21)28-20(24)16-6-5-13-22(14-16)29(25,26)18-9-7-17(27-2)8-10-18/h7-10,15-16H,3-6,11-14H2,1-2H3
InChIKeyFLSWGXBMMZZCCS-UHFFFAOYSA-N
MW424.52 g/mol
LogP1.65
Rot. Bonds6

About (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate

(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate (PubChem CID 55427969) has the molecular formula C20H28N2O6S and a molecular weight of 424.52 g/mol. Its IUPAC name is (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate.

Molecular Properties

Compound Name(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
PubChem CID55427969
Molecular FormulaC20H28N2O6S
Molecular Weight424.52 g/mol
Exact Mass424.17
IUPAC Name(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)OC(C)C(=O)N3CCCC3)C2)cc1
InChIInChI=1S/C20H28N2O6S/c1-15(19(23)21-11-3-4-12-21)28-20(24)16-6-5-13-22(14-16)29(25,26)18-9-7-17(27-2)8-10-18/h7-10,15-16H,3-6,11-14H2,1-2H3
InChIKeyFLSWGXBMMZZCCS-UHFFFAOYSA-N
XLogP1.65
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 2931612
1-(4-methoxyphenyl)sulfonyl-N-[(2S,3R)-3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]piperidine-3-carboxamide
CID 70680856
ethyl (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 2205762
azepan-1-yl-[1-[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]methanone
CID 45354498
methyl 1-[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 40899596
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 40917737
(3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 6549496
(3R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 99130969
[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 40632286
(3,5-dimethylpiperidin-1-yl)-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone
CID 51218805
(cyclohexylamino) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 87924630

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate?
The IUPAC name of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate (CID 55427969) is (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate.
What is the SMILES notation for (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate?
The canonical SMILES for (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate is COc1ccc(S(=O)(=O)N2CCCC(C(=O)OC(C)C(=O)N3CCCC3)C2)cc1.
What is the InChIKey of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate?
The InChIKey is FLSWGXBMMZZCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O6S/c1-15(19(23)21-11-3-4-12-21)28-20(24)16-6-5-13-22(14-16)29(25,26)18-9-7-17(27-2)8-10-18/h7-10,15-16H,3-6,11-14H2,1-2H3.
What are the key properties of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate?
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate has a molecular weight of 424.52 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate is sourced from PubChem (CID 55427969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).