4-pyridin-4-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

C12H15F3N4O — CID 47016737

IUPAC4-pyridin-4-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)9-17-11(20)19-7-5-18(6-8-19)10-1-3-16-4-2-10/h1-4H,5-9H2,(H,17,20)
InChIKeyBHVPHPNSMWAFKC-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.48
Rot. Bonds2

About 4-pyridin-4-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

4-pyridin-4-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (PubChem CID 47016737) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is 4-pyridin-4-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-pyridin-4-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
PubChem CID47016737
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC Name4-pyridin-4-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)9-17-11(20)19-7-5-18(6-8-19)10-1-3-16-4-2-10/h1-4H,5-9H2,(H,17,20)
InChIKeyBHVPHPNSMWAFKC-UHFFFAOYSA-N
XLogP1.48
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-pyridin-4-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide 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-propyl-4-pyridin-4-ylpiperazine-1-carboxamide
CID 47117590
4-pyridin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperazine-1-carboxamide
CID 86988135
N-[(4-morpholin-4-ylphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86831395
N-[(1-phenylcyclopropyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 30303440
N-[2-(2-chlorophenyl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 60595878
3-amino-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 22945719
N-propyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113103275
N-[2-(2,4-dimethylphenyl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 48637215
N-[2-(4-methylpiperidin-1-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 60597960
N-[(3,4-dimethoxyphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 38202199
tert-butyl N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]carbamate
CID 78813690
N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 126453634

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The IUPAC name of 4-pyridin-4-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (CID 47016737) is 4-pyridin-4-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-pyridin-4-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-pyridin-4-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is O=C(NCC(F)(F)F)N1CCN(c2ccncc2)CC1.
What is the InChIKey of 4-pyridin-4-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The InChIKey is BHVPHPNSMWAFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c13-12(14,15)9-17-11(20)19-7-5-18(6-8-19)10-1-3-16-4-2-10/h1-4H,5-9H2,(H,17,20).
What are the key properties of 4-pyridin-4-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
4-pyridin-4-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is sourced from PubChem (CID 47016737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).