N-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide

C13H19F3N2O3 — CID 110344193

IUPACN-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
SMILESO=C(NCC1CCCO1)C1CCCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C13H19F3N2O3/c14-13(15,16)12(20)18-5-1-3-9(8-18)11(19)17-7-10-4-2-6-21-10/h9-10H,1-8H2,(H,17,19)
InChIKeyKZXYCZVEEVPGRQ-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.08
Rot. Bonds3

About N-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide

N-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide (PubChem CID 110344193) has the molecular formula C13H19F3N2O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
PubChem CID110344193
Molecular FormulaC13H19F3N2O3
Molecular Weight308.30 g/mol
Exact Mass308.13
IUPAC NameN-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
SMILESO=C(NCC1CCCO1)C1CCCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C13H19F3N2O3/c14-13(15,16)12(20)18-5-1-3-9(8-18)11(19)17-7-10-4-2-6-21-10/h9-10H,1-8H2,(H,17,19)
InChIKeyKZXYCZVEEVPGRQ-UHFFFAOYSA-N
XLogP1.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide (CID 110344193) is N-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide is O=C(NCC1CCCO1)C1CCCN(C(=O)C(F)(F)F)C1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
The InChIKey is KZXYCZVEEVPGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O3/c14-13(15,16)12(20)18-5-1-3-9(8-18)11(19)17-7-10-4-2-6-21-10/h9-10H,1-8H2,(H,17,19).
What are the key properties of N-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
N-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide has a molecular weight of 308.30 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 110344193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).