1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-methylpiperidine-4-carboxamide

C19H24FN3O3 — CID 55607540

IUPAC1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)C2CC(=O)N(c3ccc(C)cc3F)C2)CC1
InChIInChI=1S/C19H24FN3O3/c1-12-3-4-16(15(20)9-12)23-11-14(10-17(23)24)19(26)22-7-5-13(6-8-22)18(25)21-2/h3-4,9,13-14H,5-8,10-11H2,1-2H3,(H,21,25)
InChIKeySCTIFPPPYJBUSX-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.47
Rot. Bonds3

About 1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-methylpiperidine-4-carboxamide

1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-methylpiperidine-4-carboxamide (PubChem CID 55607540) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is 1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-methylpiperidine-4-carboxamide
PubChem CID55607540
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)C2CC(=O)N(c3ccc(C)cc3F)C2)CC1
InChIInChI=1S/C19H24FN3O3/c1-12-3-4-16(15(20)9-12)23-11-14(10-17(23)24)19(26)22-7-5-13(6-8-22)18(25)21-2/h3-4,9,13-14H,5-8,10-11H2,1-2H3,(H,21,25)
InChIKeySCTIFPPPYJBUSX-UHFFFAOYSA-N
XLogP1.47
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-4-methylphenyl)-4-(4-methoxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 56811933
1-(2-fluoro-4-methylphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55604654
1-(2,4-difluorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561630
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
2-[4-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-3-methylbutanenitrile
CID 56585984
1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46686770
1-(2,4-difluorophenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55622618
N-(4-chlorophenyl)-4-[(3R)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-1,4-diazepane-1-carboxamide
CID 95349825
(3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 95126966
4-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
CID 126794386
[(3R)-1-[(3R)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methanesulfonamide
CID 124861676

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-methylpiperidine-4-carboxamide (CID 55607540) is 1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)C2CC(=O)N(c3ccc(C)cc3F)C2)CC1.
What is the InChIKey of 1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is SCTIFPPPYJBUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-12-3-4-16(15(20)9-12)23-11-14(10-17(23)24)19(26)22-7-5-13(6-8-22)18(25)21-2/h3-4,9,13-14H,5-8,10-11H2,1-2H3,(H,21,25).
What are the key properties of 1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-methylpiperidine-4-carboxamide?
1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 55607540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).