N-(oxan-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide

C12H19F3N2O2 — CID 127374960

IUPACN-(oxan-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(NC1CCOCC1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)9-1-5-17(6-2-9)11(18)16-10-3-7-19-8-4-10/h9-10H,1-8H2,(H,16,18)
InChIKeyWXBAQVHABWZZPU-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.15
Rot. Bonds1

About N-(oxan-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide

N-(oxan-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 127374960) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-(oxan-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID127374960
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC NameN-(oxan-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(NC1CCOCC1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)9-1-5-17(6-2-9)11(18)16-10-3-7-19-8-4-10/h9-10H,1-8H2,(H,16,18)
InChIKeyWXBAQVHABWZZPU-UHFFFAOYSA-N
XLogP2.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-(oxan-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide (CID 127374960) is N-(oxan-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide is O=C(NC1CCOCC1)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-(oxan-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is WXBAQVHABWZZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c13-12(14,15)9-1-5-17(6-2-9)11(18)16-10-3-7-19-8-4-10/h9-10H,1-8H2,(H,16,18).
What are the key properties of N-(oxan-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
N-(oxan-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 127374960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).