1-(4-fluorophenyl)-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyridin-2-one

C23H21F2N3O2 — CID 91955061

IUPAC1-(4-fluorophenyl)-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyridin-2-one
SMILESO=C(c1ccc(=O)n(-c2ccc(F)cc2)c1)N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C23H21F2N3O2/c24-19-5-7-21(8-6-19)28-16-18(4-9-22(28)29)23(30)27-12-10-26(11-13-27)15-17-2-1-3-20(25)14-17/h1-9,14,16H,10-13,15H2
InChIKeyJLBIEAAZBSVFBL-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.07
Rot. Bonds4

About 1-(4-fluorophenyl)-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyridin-2-one

1-(4-fluorophenyl)-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyridin-2-one (PubChem CID 91955061) has the molecular formula C23H21F2N3O2 and a molecular weight of 409.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyridin-2-one
PubChem CID91955061
Molecular FormulaC23H21F2N3O2
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name1-(4-fluorophenyl)-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyridin-2-one
SMILESO=C(c1ccc(=O)n(-c2ccc(F)cc2)c1)N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C23H21F2N3O2/c24-19-5-7-21(8-6-19)28-16-18(4-9-22(28)29)23(30)27-12-10-26(11-13-27)15-17-2-1-3-20(25)14-17/h1-9,14,16H,10-13,15H2
InChIKeyJLBIEAAZBSVFBL-UHFFFAOYSA-N
XLogP3.07
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 828785
1-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one
CID 70779876
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-6-yl)methanone;dihydrochloride
CID 154893496
(4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366010
5-(4-ethylpiperazine-1-carbonyl)-1-phenylpyridin-2-one
CID 91945531
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[4-[(3S)-pyrrolidin-3-yl]phenyl]methanone
CID 95876601
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyridin-2-one
CID 91955023
1-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridin-2-one
CID 91955128
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 19291224
[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 134045304
3-[[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]methyl]benzoic acid
CID 122028616
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 828777

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyridin-2-one (CID 91955061) is 1-(4-fluorophenyl)-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyridin-2-one is O=C(c1ccc(=O)n(-c2ccc(F)cc2)c1)N1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyridin-2-one?
The InChIKey is JLBIEAAZBSVFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O2/c24-19-5-7-21(8-6-19)28-16-18(4-9-22(28)29)23(30)27-12-10-26(11-13-27)15-17-2-1-3-20(25)14-17/h1-9,14,16H,10-13,15H2.
What are the key properties of 1-(4-fluorophenyl)-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyridin-2-one?
1-(4-fluorophenyl)-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyridin-2-one has a molecular weight of 409.44 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 91955061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).