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

C15H23F3N2O3 — CID 110752443

IUPACN-methyl-N-(oxan-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCN(CC1CCOCC1)C(=O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H23F3N2O3/c1-19(10-11-4-8-23-9-5-11)13(21)12-2-6-20(7-3-12)14(22)15(16,17)18/h11-12H,2-10H2,1H3
InChIKeySLDSJRWXMHOYCK-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.67
Rot. Bonds3

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

N-methyl-N-(oxan-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110752443) has the molecular formula C15H23F3N2O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110752443
Molecular FormulaC15H23F3N2O3
Molecular Weight336.35 g/mol
Exact Mass336.17
IUPAC NameN-methyl-N-(oxan-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCN(CC1CCOCC1)C(=O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H23F3N2O3/c1-19(10-11-4-8-23-9-5-11)13(21)12-2-6-20(7-3-12)14(22)15(16,17)18/h11-12H,2-10H2,1H3
InChIKeySLDSJRWXMHOYCK-UHFFFAOYSA-N
XLogP1.67
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110752443) is N-methyl-N-(oxan-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-(oxan-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-(oxan-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is CN(CC1CCOCC1)C(=O)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-methyl-N-(oxan-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is SLDSJRWXMHOYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O3/c1-19(10-11-4-8-23-9-5-11)13(21)12-2-6-20(7-3-12)14(22)15(16,17)18/h11-12H,2-10H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-methyl-N-(oxan-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110752443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).