6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one

C23H25FN2O3 — CID 53298050

IUPAC6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one
SMILESCOc1ccc(N2C(=O)CCC(C(=O)N3CCCC3)C2c2ccc(F)cc2)cc1
InChIInChI=1S/C23H25FN2O3/c1-29-19-10-8-18(9-11-19)26-21(27)13-12-20(23(28)25-14-2-3-15-25)22(26)16-4-6-17(24)7-5-16/h4-11,20,22H,2-3,12-15H2,1H3
InChIKeyWFKVHVCFNLNFOG-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.94
Rot. Bonds4

About 6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one

6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one (PubChem CID 53298050) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one
PubChem CID53298050
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one
SMILESCOc1ccc(N2C(=O)CCC(C(=O)N3CCCC3)C2c2ccc(F)cc2)cc1
InChIInChI=1S/C23H25FN2O3/c1-29-19-10-8-18(9-11-19)26-21(27)13-12-20(23(28)25-14-2-3-15-25)22(26)16-4-6-17(24)7-5-16/h4-11,20,22H,2-3,12-15H2,1H3
InChIKeyWFKVHVCFNLNFOG-UHFFFAOYSA-N
XLogP3.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)piperidin-2-one
CID 22422028
1-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 171320532
(5R,6S)-5-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-1,6-bis(4-methoxyphenyl)piperidin-2-one
CID 41207711
(5R,6S)-5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-6-(4-fluorophenyl)-1-(4-methoxyphenyl)piperidin-2-one
CID 94850263
(5S,6R)-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one
CID 25476275
1,6-bis(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-2-one
CID 15997008
N-[2-(4-fluorophenyl)ethyl]-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 42989394
(2R,3S)-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 98460106
(2S,3S)-N-(2,5-difluorophenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 26360728
1,5-bis(4-methoxyphenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 71305184
1-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
CID 171320483
N-cyclopentyl-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 43007439

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one?
The IUPAC name of 6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one (CID 53298050) is 6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one.
What is the SMILES notation for 6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one?
The canonical SMILES for 6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one is COc1ccc(N2C(=O)CCC(C(=O)N3CCCC3)C2c2ccc(F)cc2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one?
The InChIKey is WFKVHVCFNLNFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/c1-29-19-10-8-18(9-11-19)26-21(27)13-12-20(23(28)25-14-2-3-15-25)22(26)16-4-6-17(24)7-5-16/h4-11,20,22H,2-3,12-15H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one?
6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one has a molecular weight of 396.46 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 53298050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).