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

C14H21F3N2O3 — CID 110736401

IUPACN-(oxan-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCOCC1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2O3/c15-14(16,17)13(21)19-5-1-11(2-6-19)12(20)18-9-10-3-7-22-8-4-10/h10-11H,1-9H2,(H,18,20)
InChIKeyHRXKHUMSVJBGGY-UHFFFAOYSA-N
MW322.33 g/mol
LogP1.33
Rot. Bonds3

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

N-(oxan-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110736401) has the molecular formula C14H21F3N2O3 and a molecular weight of 322.33 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110736401
Molecular FormulaC14H21F3N2O3
Molecular Weight322.33 g/mol
Exact Mass322.15
IUPAC NameN-(oxan-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCOCC1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2O3/c15-14(16,17)13(21)19-5-1-11(2-6-19)12(20)18-9-10-3-7-22-8-4-10/h10-11H,1-9H2,(H,18,20)
InChIKeyHRXKHUMSVJBGGY-UHFFFAOYSA-N
XLogP1.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(oxan-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110736401) is N-(oxan-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(oxan-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is O=C(NCC1CCOCC1)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-(oxan-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is HRXKHUMSVJBGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O3/c15-14(16,17)13(21)19-5-1-11(2-6-19)12(20)18-9-10-3-7-22-8-4-10/h10-11H,1-9H2,(H,18,20).
What are the key properties of N-(oxan-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-(oxan-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 322.33 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110736401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).