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

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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).