[(3R)-1-[(3R)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methanesulfonamide

C18H24FN3O4S — CID 124861676

IUPAC[(3R)-1-[(3R)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methanesulfonamide
SMILESCc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](CS(N)(=O)=O)C3)CC2=O)c(F)c1
InChIInChI=1S/C18H24FN3O4S/c1-12-4-5-16(15(19)7-12)22-10-14(8-17(22)23)18(24)21-6-2-3-13(9-21)11-27(20,25)26/h4-5,7,13-14H,2-3,6,8-11H2,1H3,(H2,20,25,26)/t13-,14-/m1/s1
InChIKeyIYPQBEDDDUBUIB-ZIAGYGMSSA-N
MW397.47 g/mol
LogP1.01
Rot. Bonds4

About [(3R)-1-[(3R)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methanesulfonamide

[(3R)-1-[(3R)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methanesulfonamide (PubChem CID 124861676) has the molecular formula C18H24FN3O4S and a molecular weight of 397.47 g/mol. Its IUPAC name is [(3R)-1-[(3R)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[(3R)-1-[(3R)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methanesulfonamide
PubChem CID124861676
Molecular FormulaC18H24FN3O4S
Molecular Weight397.47 g/mol
Exact Mass397.15
IUPAC Name[(3R)-1-[(3R)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methanesulfonamide
SMILESCc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](CS(N)(=O)=O)C3)CC2=O)c(F)c1
InChIInChI=1S/C18H24FN3O4S/c1-12-4-5-16(15(19)7-12)22-10-14(8-17(22)23)18(24)21-6-2-3-13(9-21)11-27(20,25)26/h4-5,7,13-14H,2-3,6,8-11H2,1H3,(H2,20,25,26)/t13-,14-/m1/s1
InChIKeyIYPQBEDDDUBUIB-ZIAGYGMSSA-N
XLogP1.01
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46686770
1-(2-fluoro-4-methylphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55604654
1-(2-fluoro-4-methylphenyl)-4-(4-methoxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 56811933
1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-methylpiperidine-4-carboxamide
CID 55607540
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 55604907
(4S)-4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 124596709
(4R)-1-(2,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 26615613
1-(4-fluoro-3-methylphenyl)-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 110020269
4-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
CID 126794386
1-(2,4-difluorophenyl)-4-[3-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119490260
N-(4-chlorophenyl)-4-[(3R)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-1,4-diazepane-1-carboxamide
CID 95349825
1-(2,4-difluorophenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55622618

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(3R)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of [(3R)-1-[(3R)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methanesulfonamide (CID 124861676) is [(3R)-1-[(3R)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for [(3R)-1-[(3R)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for [(3R)-1-[(3R)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methanesulfonamide is Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](CS(N)(=O)=O)C3)CC2=O)c(F)c1.
What is the InChIKey of [(3R)-1-[(3R)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is IYPQBEDDDUBUIB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H24FN3O4S/c1-12-4-5-16(15(19)7-12)22-10-14(8-17(22)23)18(24)21-6-2-3-13(9-21)11-27(20,25)26/h4-5,7,13-14H,2-3,6,8-11H2,1H3,(H2,20,25,26)/t13-,14-/m1/s1.
What are the key properties of [(3R)-1-[(3R)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methanesulfonamide?
[(3R)-1-[(3R)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 397.47 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(3R)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 124861676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).