3-(4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one

C13H15F3N2O2 — CID 24605953

IUPAC3-(4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC1CCN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)CC1
InChIInChI=1S/C13H15F3N2O2/c1-8-4-6-18(7-5-8)12(20)9-2-3-10(13(14,15)16)17-11(9)19/h2-3,8H,4-7H2,1H3,(H,17,19)
InChIKeyMPBSHPNKBRMRKA-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.27
Rot. Bonds1

About 3-(4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one

3-(4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 24605953) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 3-(4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID24605953
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name3-(4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC1CCN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)CC1
InChIInChI=1S/C13H15F3N2O2/c1-8-4-6-18(7-5-8)12(20)9-2-3-10(13(14,15)16)17-11(9)19/h2-3,8H,4-7H2,1H3,(H,17,19)
InChIKeyMPBSHPNKBRMRKA-UHFFFAOYSA-N
XLogP2.27
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one (CID 24605953) is 3-(4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one is CC1CCN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)CC1.
What is the InChIKey of 3-(4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is MPBSHPNKBRMRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-8-4-6-18(7-5-8)12(20)9-2-3-10(13(14,15)16)17-11(9)19/h2-3,8H,4-7H2,1H3,(H,17,19).
What are the key properties of 3-(4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
3-(4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 288.27 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 24605953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).