N-methyl-N-(2-methyloxolan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide

C13H21F3N2O2 — CID 114908953

IUPACN-methyl-N-(2-methyloxolan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCC1OCCC1N(C)C(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C13H21F3N2O2/c1-8-11(5-6-20-8)18(2)12(19)10-4-3-9(7-17-10)13(14,15)16/h8-11,17H,3-7H2,1-2H3
InChIKeyCJZCBBJKCJBQAS-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.55
Rot. Bonds2

About N-methyl-N-(2-methyloxolan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide

N-methyl-N-(2-methyloxolan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 114908953) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-methyl-N-(2-methyloxolan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methyloxolan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID114908953
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC NameN-methyl-N-(2-methyloxolan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCC1OCCC1N(C)C(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C13H21F3N2O2/c1-8-11(5-6-20-8)18(2)12(19)10-4-3-9(7-17-10)13(14,15)16/h8-11,17H,3-7H2,1-2H3
InChIKeyCJZCBBJKCJBQAS-UHFFFAOYSA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methyloxolan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-methyl-N-(2-methyloxolan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide (CID 114908953) is N-methyl-N-(2-methyloxolan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methyloxolan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-methyl-N-(2-methyloxolan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide is CC1OCCC1N(C)C(=O)C1CCC(C(F)(F)F)CN1.
What is the InChIKey of N-methyl-N-(2-methyloxolan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is CJZCBBJKCJBQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c1-8-11(5-6-20-8)18(2)12(19)10-4-3-9(7-17-10)13(14,15)16/h8-11,17H,3-7H2,1-2H3.
What are the key properties of N-methyl-N-(2-methyloxolan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
N-methyl-N-(2-methyloxolan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 294.32 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyloxolan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 114908953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).