(4-pyridin-4-ylpiperazin-1-yl)-[3-(trifluoromethyl)phenyl]methanone

C17H16F3N3O — CID 9048304

IUPAC(4-pyridin-4-ylpiperazin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C17H16F3N3O/c18-17(19,20)14-3-1-2-13(12-14)16(24)23-10-8-22(9-11-23)15-4-6-21-7-5-15/h1-7,12H,8-11H2
InChIKeyNUMMLUHBHDHIFF-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.06
Rot. Bonds2

About (4-pyridin-4-ylpiperazin-1-yl)-[3-(trifluoromethyl)phenyl]methanone

(4-pyridin-4-ylpiperazin-1-yl)-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 9048304) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is (4-pyridin-4-ylpiperazin-1-yl)-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-pyridin-4-ylpiperazin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
PubChem CID9048304
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC Name(4-pyridin-4-ylpiperazin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C17H16F3N3O/c18-17(19,20)14-3-1-2-13(12-14)16(24)23-10-8-22(9-11-23)15-4-6-21-7-5-15/h1-7,12H,8-11H2
InChIKeyNUMMLUHBHDHIFF-UHFFFAOYSA-N
XLogP3.06
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2166152
[3,5-bis(trifluoromethyl)phenyl]-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 3233715
[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 91968830
[3-(trifluoromethyl)phenyl]-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]-1,4-diazepan-1-yl]methanone
CID 24736032
[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 122341421
N,N-dimethyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 9228437
1-[3-(trifluoromethyl)benzoyl]piperidin-4-one
CID 3815225
5-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053080
(4-aminophenyl)-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone;hydrochloride
CID 119720545
[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-phenylmethanone
CID 42705379
(4-tert-butylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228417
[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121113768

Frequently Asked Questions

What is the IUPAC name of (4-pyridin-4-ylpiperazin-1-yl)-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-pyridin-4-ylpiperazin-1-yl)-[3-(trifluoromethyl)phenyl]methanone (CID 9048304) is (4-pyridin-4-ylpiperazin-1-yl)-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-pyridin-4-ylpiperazin-1-yl)-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-pyridin-4-ylpiperazin-1-yl)-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2ccncc2)CC1.
What is the InChIKey of (4-pyridin-4-ylpiperazin-1-yl)-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is NUMMLUHBHDHIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O/c18-17(19,20)14-3-1-2-13(12-14)16(24)23-10-8-22(9-11-23)15-4-6-21-7-5-15/h1-7,12H,8-11H2.
What are the key properties of (4-pyridin-4-ylpiperazin-1-yl)-[3-(trifluoromethyl)phenyl]methanone?
(4-pyridin-4-ylpiperazin-1-yl)-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 335.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-4-ylpiperazin-1-yl)-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 9048304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).