N-(oxan-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C13H19F3N2O3 — CID 110726848

IUPACN-(oxan-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(NC1CCOCC1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2O3/c14-13(15,16)12(20)18-5-1-9(2-6-18)11(19)17-10-3-7-21-8-4-10/h9-10H,1-8H2,(H,17,19)
InChIKeyHFVLNAPBTIEQIG-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.08
Rot. Bonds2

About N-(oxan-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-(oxan-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110726848) has the molecular formula C13H19F3N2O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is N-(oxan-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110726848
Molecular FormulaC13H19F3N2O3
Molecular Weight308.30 g/mol
Exact Mass308.13
IUPAC NameN-(oxan-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(NC1CCOCC1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2O3/c14-13(15,16)12(20)18-5-1-9(2-6-18)11(19)17-10-3-7-21-8-4-10/h9-10H,1-8H2,(H,17,19)
InChIKeyHFVLNAPBTIEQIG-UHFFFAOYSA-N
XLogP1.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(oxan-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110726848) is N-(oxan-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is O=C(NC1CCOCC1)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-(oxan-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is HFVLNAPBTIEQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O3/c14-13(15,16)12(20)18-5-1-9(2-6-18)11(19)17-10-3-7-21-8-4-10/h9-10H,1-8H2,(H,17,19).
What are the key properties of N-(oxan-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-(oxan-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 308.30 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110726848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).