N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide

C13H21F3N2O2 — CID 114908639

IUPACN-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCC(NC(=O)C1CCC(C(F)(F)F)CN1)C1CCCO1
InChIInChI=1S/C13H21F3N2O2/c1-8(11-3-2-6-20-11)18-12(19)10-5-4-9(7-17-10)13(14,15)16/h8-11,17H,2-7H2,1H3,(H,18,19)
InChIKeyJLSGNCICCHJAQC-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.60
Rot. Bonds3

About N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide

N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 114908639) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID114908639
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC NameN-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCC(NC(=O)C1CCC(C(F)(F)F)CN1)C1CCCO1
InChIInChI=1S/C13H21F3N2O2/c1-8(11-3-2-6-20-11)18-12(19)10-5-4-9(7-17-10)13(14,15)16/h8-11,17H,2-7H2,1H3,(H,18,19)
InChIKeyJLSGNCICCHJAQC-UHFFFAOYSA-N
XLogP1.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide (CID 114908639) is N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide is CC(NC(=O)C1CCC(C(F)(F)F)CN1)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is JLSGNCICCHJAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c1-8(11-3-2-6-20-11)18-12(19)10-5-4-9(7-17-10)13(14,15)16/h8-11,17H,2-7H2,1H3,(H,18,19).
What are the key properties of N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 294.32 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 114908639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).