4-[(3-fluorophenyl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one

C23H22FN3O — CID 110088349

IUPAC4-[(3-fluorophenyl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one
SMILESO=C1NCCN(Cc2cccc(F)c2)C1Cc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C23H22FN3O/c24-21-5-1-3-18(13-21)16-27-12-11-26-23(28)22(27)14-17-6-8-19(9-7-17)20-4-2-10-25-15-20/h1-10,13,15,22H,11-12,14,16H2,(H,26,28)
InChIKeyILCAQOJCNNOSEJ-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.43
Rot. Bonds5

About 4-[(3-fluorophenyl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one

4-[(3-fluorophenyl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one (PubChem CID 110088349) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one
PubChem CID110088349
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name4-[(3-fluorophenyl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one
SMILESO=C1NCCN(Cc2cccc(F)c2)C1Cc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C23H22FN3O/c24-21-5-1-3-18(13-21)16-27-12-11-26-23(28)22(27)14-17-6-8-19(9-7-17)20-4-2-10-25-15-20/h1-10,13,15,22H,11-12,14,16H2,(H,26,28)
InChIKeyILCAQOJCNNOSEJ-UHFFFAOYSA-N
XLogP3.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-4-[(3-fluorophenyl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 124966343
(3S)-4-[(2,5-dimethoxyphenyl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 95812166
(3S)-4-[(1-propylbenzimidazol-2-yl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 129453625
3-[2-(azocan-1-yl)-2-oxoethyl]-4-[(3-fluorophenyl)methyl]piperazin-2-one
CID 45243475
2-[(2S)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 26394507
(3R)-3-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-4-[(3-fluorophenyl)methyl]piperazin-2-one
CID 42404182
N-[2-(3-fluorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45249769
2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-methylcyclobutyl)acetamide
CID 46970496
4-[(3-fluorophenyl)methyl]-3-[2-(oxazinan-2-yl)-2-oxoethyl]piperazin-2-one
CID 45242447
3-[[2-[(2R)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetyl]amino]propanamide
CID 95716172
3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one;dihydrochloride
CID 119057209
2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 45210149

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one (CID 110088349) is 4-[(3-fluorophenyl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one is O=C1NCCN(Cc2cccc(F)c2)C1Cc1ccc(-c2cccnc2)cc1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one?
The InChIKey is ILCAQOJCNNOSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O/c24-21-5-1-3-18(13-21)16-27-12-11-26-23(28)22(27)14-17-6-8-19(9-7-17)20-4-2-10-25-15-20/h1-10,13,15,22H,11-12,14,16H2,(H,26,28).
What are the key properties of 4-[(3-fluorophenyl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one?
4-[(3-fluorophenyl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one has a molecular weight of 375.45 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 110088349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).