N-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide

C14H23F3N2O2 — CID 114908863

IUPACN-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCN(CC1CCOCC1)C(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C14H23F3N2O2/c1-19(9-10-4-6-21-7-5-10)13(20)12-3-2-11(8-18-12)14(15,16)17/h10-12,18H,2-9H2,1H3
InChIKeyJAEOHZIJDWJVMP-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.80
Rot. Bonds3

About N-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide

N-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 114908863) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID114908863
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC NameN-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCN(CC1CCOCC1)C(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C14H23F3N2O2/c1-19(9-10-4-6-21-7-5-10)13(20)12-3-2-11(8-18-12)14(15,16)17/h10-12,18H,2-9H2,1H3
InChIKeyJAEOHZIJDWJVMP-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide (CID 114908863) is N-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide is CN(CC1CCOCC1)C(=O)C1CCC(C(F)(F)F)CN1.
What is the InChIKey of N-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is JAEOHZIJDWJVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-19(9-10-4-6-21-7-5-10)13(20)12-3-2-11(8-18-12)14(15,16)17/h10-12,18H,2-9H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
N-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 114908863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).