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

C24H26FN3O3 — CID 46686770

IUPAC1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)N3CCCC(C(=O)Nc4ccccc4)C3)CC2=O)c(F)c1
InChIInChI=1S/C24H26FN3O3/c1-16-9-10-21(20(25)12-16)28-15-18(13-22(28)29)24(31)27-11-5-6-17(14-27)23(30)26-19-7-3-2-4-8-19/h2-4,7-10,12,17-18H,5-6,11,13-15H2,1H3,(H,26,30)
InChIKeyPGVMPEZBXDGHCA-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.36
Rot. Bonds4

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

1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 46686770) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is 1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
PubChem CID46686770
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)N3CCCC(C(=O)Nc4ccccc4)C3)CC2=O)c(F)c1
InChIInChI=1S/C24H26FN3O3/c1-16-9-10-21(20(25)12-16)28-15-18(13-22(28)29)24(31)27-11-5-6-17(14-27)23(30)26-19-7-3-2-4-8-19/h2-4,7-10,12,17-18H,5-6,11,13-15H2,1H3,(H,26,30)
InChIKeyPGVMPEZBXDGHCA-UHFFFAOYSA-N
XLogP3.36
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-4-[(3R)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-1,4-diazepane-1-carboxamide
CID 95349825
1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-methylpiperidine-4-carboxamide
CID 55607540
1-(2-fluoro-4-methylphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55604654
[(3R)-1-[(3R)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methanesulfonamide
CID 124861676
4-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
CID 126794386
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 55604907
(3R)-1-[(3S)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 94830850
N-(3-ethylphenyl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46686190
1-(2-fluoro-4-methylphenyl)-4-(4-methoxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 56811933
1-(2-fluorophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 580303
1-(2,4-difluorophenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55622618
N-(4-amino-3,5-dichlorophenyl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55628688

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide (CID 46686770) is 1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide is Cc1ccc(N2CC(C(=O)N3CCCC(C(=O)Nc4ccccc4)C3)CC2=O)c(F)c1.
What is the InChIKey of 1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is PGVMPEZBXDGHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-16-9-10-21(20(25)12-16)28-15-18(13-22(28)29)24(31)27-11-5-6-17(14-27)23(30)26-19-7-3-2-4-8-19/h2-4,7-10,12,17-18H,5-6,11,13-15H2,1H3,(H,26,30).
What are the key properties of 1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide?
1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 3.36, 4 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-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 46686770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).