N-methyl-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide

C13H21F3N2O2 — CID 114908696

IUPACN-methyl-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCN(CC1CCCO1)C(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C13H21F3N2O2/c1-18(8-10-3-2-6-20-10)12(19)11-5-4-9(7-17-11)13(14,15)16/h9-11,17H,2-8H2,1H3
InChIKeyFJWZXHONDZSFKO-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.55
Rot. Bonds3

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

N-methyl-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 114908696) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-methyl-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID114908696
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC NameN-methyl-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCN(CC1CCCO1)C(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C13H21F3N2O2/c1-18(8-10-3-2-6-20-10)12(19)11-5-4-9(7-17-11)13(14,15)16/h9-11,17H,2-8H2,1H3
InChIKeyFJWZXHONDZSFKO-UHFFFAOYSA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide (CID 114908696) is N-methyl-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-methyl-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-methyl-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide is CN(CC1CCCO1)C(=O)C1CCC(C(F)(F)F)CN1.
What is the InChIKey of N-methyl-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is FJWZXHONDZSFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c1-18(8-10-3-2-6-20-10)12(19)11-5-4-9(7-17-11)13(14,15)16/h9-11,17H,2-8H2,1H3.
What are the key properties of N-methyl-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
N-methyl-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 294.32 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 114908696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).