methyl 1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-4-carboxylate

C18H24N2O6S — CID 43908989

IUPACmethyl 1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)CC1
InChIInChI=1S/C18H24N2O6S/c1-25-16-6-5-14(12-15(16)20-9-3-4-17(20)21)27(23,24)19-10-7-13(8-11-19)18(22)26-2/h5-6,12-13H,3-4,7-11H2,1-2H3
InChIKeyHTZKGIJIEKMPOT-UHFFFAOYSA-N
MW396.47 g/mol
LogP1.40
Rot. Bonds5

About methyl 1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-4-carboxylate

methyl 1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-4-carboxylate (PubChem CID 43908989) has the molecular formula C18H24N2O6S and a molecular weight of 396.47 g/mol. Its IUPAC name is methyl 1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-4-carboxylate
PubChem CID43908989
Molecular FormulaC18H24N2O6S
Molecular Weight396.47 g/mol
Exact Mass396.14
IUPAC Namemethyl 1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)CC1
InChIInChI=1S/C18H24N2O6S/c1-25-16-6-5-14(12-15(16)20-9-3-4-17(20)21)27(23,24)19-10-7-13(8-11-19)18(22)26-2/h5-6,12-13H,3-4,7-11H2,1-2H3
InChIKeyHTZKGIJIEKMPOT-UHFFFAOYSA-N
XLogP1.40
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(4-benzylpiperidin-1-yl)sulfonyl-2-methoxyphenyl]pyrrolidin-2-one
CID 92685712
4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 46763903
ethyl 4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperazine-1-carboxylate
CID 30385367
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 124832613
4-methoxy-N,N-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 38015477
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721
methyl 1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidine-3-carboxylate
CID 112732193
methyl 1-(4-amino-3-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 82845277
4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 92672793
methyl 1-(3-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 43404909
N-(3-chloro-4-methylphenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46764647
methyl (2R)-1-[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxylate
CID 51513351

Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-4-carboxylate?
The IUPAC name of methyl 1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-4-carboxylate (CID 43908989) is methyl 1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-4-carboxylate?
The canonical SMILES for methyl 1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-4-carboxylate is COC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)CC1.
What is the InChIKey of methyl 1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-4-carboxylate?
The InChIKey is HTZKGIJIEKMPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6S/c1-25-16-6-5-14(12-15(16)20-9-3-4-17(20)21)27(23,24)19-10-7-13(8-11-19)18(22)26-2/h5-6,12-13H,3-4,7-11H2,1-2H3.
What are the key properties of methyl 1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-4-carboxylate?
methyl 1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-4-carboxylate has a molecular weight of 396.47 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 43908989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).