N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide

C24H25F2N3O3 — CID 86939589

IUPACN-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2=O)c(F)c1)C1CCCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C24H25F2N3O3/c25-18-7-5-16(6-8-18)13-23(31)28-11-1-3-17(15-28)24(32)27-19-9-10-21(20(26)14-19)29-12-2-4-22(29)30/h5-10,14,17H,1-4,11-13,15H2,(H,27,32)
InChIKeyXOKNGVHYGIHHBE-UHFFFAOYSA-N
MW441.48 g/mol
LogP3.51
Rot. Bonds5

About N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide

N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide (PubChem CID 86939589) has the molecular formula C24H25F2N3O3 and a molecular weight of 441.48 g/mol. Its IUPAC name is N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
PubChem CID86939589
Molecular FormulaC24H25F2N3O3
Molecular Weight441.48 g/mol
Exact Mass441.19
IUPAC NameN-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2=O)c(F)c1)C1CCCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C24H25F2N3O3/c25-18-7-5-16(6-8-18)13-23(31)28-11-1-3-17(15-28)24(32)27-19-9-10-21(20(26)14-19)29-12-2-4-22(29)30/h5-10,14,17H,1-4,11-13,15H2,(H,27,32)
InChIKeyXOKNGVHYGIHHBE-UHFFFAOYSA-N
XLogP3.51
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[2-[4-[[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 55781812
4-(cyclopentanecarbonylamino)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide
CID 86939743
(3S)-1-[2-(4-fluorophenyl)acetyl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide
CID 94461778
(3R)-1-[2-(4-fluorophenyl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94168679
N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide
CID 55738620
N-[3-(4-fluorophenyl)phenyl]-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-3-carboxamide
CID 45195638
N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 86940012
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 46481378
1-[2-(4-fluorophenyl)acetyl]-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide
CID 110001085
tert-butyl 3-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 42932758
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 86898399
1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-one
CID 127769925

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide (CID 86939589) is N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide is O=C(Nc1ccc(N2CCCC2=O)c(F)c1)C1CCCN(C(=O)Cc2ccc(F)cc2)C1.
What is the InChIKey of N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide?
The InChIKey is XOKNGVHYGIHHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O3/c25-18-7-5-16(6-8-18)13-23(31)28-11-1-3-17(15-28)24(32)27-19-9-10-21(20(26)14-19)29-12-2-4-22(29)30/h5-10,14,17H,1-4,11-13,15H2,(H,27,32).
What are the key properties of N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide?
N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide has a molecular weight of 441.48 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 86939589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).