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

C24H26FN3O3 — CID 45195638

IUPACN-[3-(4-fluorophenyl)phenyl]-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(F)cc2)c1)C1CCCN(C(=O)CN2CCCC2=O)C1
InChIInChI=1S/C24H26FN3O3/c25-20-10-8-17(9-11-20)18-4-1-6-21(14-18)26-24(31)19-5-2-12-27(15-19)23(30)16-28-13-3-7-22(28)29/h1,4,6,8-11,14,19H,2-3,5,7,12-13,15-16H2,(H,26,31)
InChIKeyNSPJREYATVUENA-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.29
Rot. Bonds5

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

N-[3-(4-fluorophenyl)phenyl]-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-3-carboxamide (PubChem CID 45195638) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)phenyl]-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)phenyl]-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-3-carboxamide
PubChem CID45195638
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC NameN-[3-(4-fluorophenyl)phenyl]-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(F)cc2)c1)C1CCCN(C(=O)CN2CCCC2=O)C1
InChIInChI=1S/C24H26FN3O3/c25-20-10-8-17(9-11-20)18-4-1-6-21(14-18)26-24(31)19-5-2-12-27(15-19)23(30)16-28-13-3-7-22(28)29/h1,4,6,8-11,14,19H,2-3,5,7,12-13,15-16H2,(H,26,31)
InChIKeyNSPJREYATVUENA-UHFFFAOYSA-N
XLogP3.29
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-methoxyphenyl)phenyl]-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-3-carboxamide
CID 45207506
(3R)-N-[3-(4-fluorophenyl)phenyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 42595616
(3R)-1-acetyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 26396271
(3R)-N-[3-(4-fluorophenyl)phenyl]-1-[2-(3-methylpyrazol-1-yl)acetyl]piperidine-3-carboxamide
CID 25385278
1-[2-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 26321736
(3R)-N-[3-(4-fluorophenyl)phenyl]-1-(6-methylpyridine-2-carbonyl)piperidine-3-carboxamide
CID 25451663
(3S)-N-[3-(4-fluorophenyl)phenyl]-1-(6-methylpyridine-3-carbonyl)piperidine-3-carboxamide
CID 42401368
N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 86939589
(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidine-3-carboxamide
CID 42459003
1-(cyclopropanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 45236502
(3S)-1-(cyclopentanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 42567058
1-[2-(2-oxoazepan-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 55408311

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)phenyl]-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-3-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)phenyl]-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-3-carboxamide (CID 45195638) is N-[3-(4-fluorophenyl)phenyl]-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)phenyl]-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)phenyl]-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-3-carboxamide is O=C(Nc1cccc(-c2ccc(F)cc2)c1)C1CCCN(C(=O)CN2CCCC2=O)C1.
What is the InChIKey of N-[3-(4-fluorophenyl)phenyl]-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-3-carboxamide?
The InChIKey is NSPJREYATVUENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c25-20-10-8-17(9-11-20)18-4-1-6-21(14-18)26-24(31)19-5-2-12-27(15-19)23(30)16-28-13-3-7-22(28)29/h1,4,6,8-11,14,19H,2-3,5,7,12-13,15-16H2,(H,26,31).
What are the key properties of N-[3-(4-fluorophenyl)phenyl]-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-3-carboxamide?
N-[3-(4-fluorophenyl)phenyl]-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-3-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)phenyl]-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 45195638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).