3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one

C18H18F3N3O3 — CID 167926537

IUPAC3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESCOc1cccc(C2CN(C(=O)c3cc(C(F)(F)F)c[nH]c3=O)CCN2)c1
InChIInChI=1S/C18H18F3N3O3/c1-27-13-4-2-3-11(7-13)15-10-24(6-5-22-15)17(26)14-8-12(18(19,20)21)9-23-16(14)25/h2-4,7-9,15,22H,5-6,10H2,1H3,(H,23,25)
InChIKeyAXBHBEXFJZZVPD-UHFFFAOYSA-N
MW381.35 g/mol
LogP2.19
Rot. Bonds3

About 3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one

3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 167926537) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is 3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID167926537
Molecular FormulaC18H18F3N3O3
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC Name3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESCOc1cccc(C2CN(C(=O)c3cc(C(F)(F)F)c[nH]c3=O)CCN2)c1
InChIInChI=1S/C18H18F3N3O3/c1-27-13-4-2-3-11(7-13)15-10-24(6-5-22-15)17(26)14-8-12(18(19,20)21)9-23-16(14)25/h2-4,7-9,15,22H,5-6,10H2,1H3,(H,23,25)
InChIKeyAXBHBEXFJZZVPD-UHFFFAOYSA-N
XLogP2.19
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-[3-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 142506558
3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one
CID 167745798
3-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one
CID 166249883
[5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]-[3-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 146076557
(5S)-9-[3,5-bis(trifluoromethyl)benzoyl]-5-(3-methoxyphenyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
CID 87763679
2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride
CID 171547710
[2-(3-methoxyanilino)phenyl]-(3-methylpiperazin-1-yl)methanone
CID 119576643
(2-amino-3-pyridinyl)-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone
CID 24996302
(3-methoxyphenyl)-[(3R,4R)-3-(piperidin-1-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 92991868
(2-iodo-4-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 119576725
4-[5-(3-methoxyphenyl)-1H-pyrazole-4-carbonyl]piperazine-2-carboxylic acid
CID 56877528
(3-methoxyphenyl)-(5-methyl-1,4-diazepan-1-yl)methanone
CID 82244663

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one (CID 167926537) is 3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one is COc1cccc(C2CN(C(=O)c3cc(C(F)(F)F)c[nH]c3=O)CCN2)c1.
What is the InChIKey of 3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is AXBHBEXFJZZVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c1-27-13-4-2-3-11(7-13)15-10-24(6-5-22-15)17(26)14-8-12(18(19,20)21)9-23-16(14)25/h2-4,7-9,15,22H,5-6,10H2,1H3,(H,23,25).
What are the key properties of 3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one?
3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 381.35 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 167926537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).