1-[4-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperazin-1-yl]ethanone

C18H18F3N3O2 — CID 139573877

IUPAC1-[4-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccnc(-c3ccc(OC(F)(F)F)cc3)c2)CC1
InChIInChI=1S/C18H18F3N3O2/c1-13(25)23-8-10-24(11-9-23)15-6-7-22-17(12-15)14-2-4-16(5-3-14)26-18(19,20)21/h2-7,12H,8-11H2,1H3
InChIKeyZYZFGCFMAOGWIY-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.32
Rot. Bonds3

About 1-[4-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperazin-1-yl]ethanone

1-[4-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 139573877) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 1-[4-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperazin-1-yl]ethanone
PubChem CID139573877
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name1-[4-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccnc(-c3ccc(OC(F)(F)F)cc3)c2)CC1
InChIInChI=1S/C18H18F3N3O2/c1-13(25)23-8-10-24(11-9-23)15-6-7-22-17(12-15)14-2-4-16(5-3-14)26-18(19,20)21/h2-7,12H,8-11H2,1H3
InChIKeyZYZFGCFMAOGWIY-UHFFFAOYSA-N
XLogP3.32
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide
CID 139557325
4-piperidin-1-yl-2,6-bis[4-(trifluoromethoxy)phenyl]pyridine
CID 11634401
4-[3-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]piperazine-1-carboxylic acid
CID 68595845
1-[2-(4-methoxyphenyl)-4-pyridinyl]piperidine-4-carboxamide
CID 67218664
6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxylic acid
CID 148732120
4-(4-acetylpiperazin-1-yl)pyridine-2-carbothioamide
CID 55154931
1-[4-[3-[2-amino-4-(trifluoromethoxy)anilino]phenyl]piperazin-1-yl]ethanone
CID 68952746
4-(4-acetylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 109201306
1-(2-fluoro-4-pyridinyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 175651707
1-[4-[4-(azepan-1-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209058
(E)-1-(4-phenylpiperazin-1-yl)-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one
CID 8713575
4-(4-acetylpiperazin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2-carboxamide
CID 109209181

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperazin-1-yl]ethanone (CID 139573877) is 1-[4-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccnc(-c3ccc(OC(F)(F)F)cc3)c2)CC1.
What is the InChIKey of 1-[4-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is ZYZFGCFMAOGWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-13(25)23-8-10-24(11-9-23)15-6-7-22-17(12-15)14-2-4-16(5-3-14)26-18(19,20)21/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-[4-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperazin-1-yl]ethanone?
1-[4-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 365.36 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 139573877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).