N-(oxan-4-yl)-3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine-1-carboxamide

C16H19F3N4O3 — CID 139028801

IUPACN-(oxan-4-yl)-3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine-1-carboxamide
SMILESO=C(NC1CCOCC1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1
InChIInChI=1S/C16H19F3N4O3/c17-16(18,19)13-9-12(1-4-20-13)23-6-5-22(10-14(23)24)15(25)21-11-2-7-26-8-3-11/h1,4,9,11H,2-3,5-8,10H2,(H,21,25)
InChIKeyCOFSBKNCJRCLPA-UHFFFAOYSA-N
MW372.35 g/mol
LogP1.64
Rot. Bonds2

About N-(oxan-4-yl)-3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine-1-carboxamide

N-(oxan-4-yl)-3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine-1-carboxamide (PubChem CID 139028801) has the molecular formula C16H19F3N4O3 and a molecular weight of 372.35 g/mol. Its IUPAC name is N-(oxan-4-yl)-3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine-1-carboxamide
PubChem CID139028801
Molecular FormulaC16H19F3N4O3
Molecular Weight372.35 g/mol
Exact Mass372.14
IUPAC NameN-(oxan-4-yl)-3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine-1-carboxamide
SMILESO=C(NC1CCOCC1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1
InChIInChI=1S/C16H19F3N4O3/c17-16(18,19)13-9-12(1-4-20-13)23-6-5-22(10-14(23)24)15(25)21-11-2-7-26-8-3-11/h1,4,9,11H,2-3,5-8,10H2,(H,21,25)
InChIKeyCOFSBKNCJRCLPA-UHFFFAOYSA-N
XLogP1.64
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(oxan-4-yl)-3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]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

4-(morpholine-4-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 139023005
4-(oxolane-3-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 139022872
2-[2-oxo-2-[3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 139023048
[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamic acid
CID 67341843
1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-2-one
CID 166609012
4-[3-(4-methoxyphenyl)propanoyl]-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 139023411
4-(1-methyl-3-phenylpyrazole-5-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 139023602
morpholin-4-yl-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methanone
CID 165434721
4-pyrazolo[1,5-a]pyrazin-4-yl-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 163349454
4-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]morpholine
CID 171691128
tert-butyl N-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamate
CID 67342449
N-(4-methylcyclohexyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
CID 75408355

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-(oxan-4-yl)-3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine-1-carboxamide (CID 139028801) is N-(oxan-4-yl)-3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine-1-carboxamide is O=C(NC1CCOCC1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1.
What is the InChIKey of N-(oxan-4-yl)-3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine-1-carboxamide?
The InChIKey is COFSBKNCJRCLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O3/c17-16(18,19)13-9-12(1-4-20-13)23-6-5-22(10-14(23)24)15(25)21-11-2-7-26-8-3-11/h1,4,9,11H,2-3,5-8,10H2,(H,21,25).
What are the key properties of N-(oxan-4-yl)-3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine-1-carboxamide?
N-(oxan-4-yl)-3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine-1-carboxamide has a molecular weight of 372.35 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 139028801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).