6-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide

C14H19F3N2O — CID 162582317

IUPAC6-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide
SMILESCC1CCN(C2=CC(C(F)(F)F)CC=C2C(N)=O)CC1
InChIInChI=1S/C14H19F3N2O/c1-9-4-6-19(7-5-9)12-8-10(14(15,16)17)2-3-11(12)13(18)20/h3,8-10H,2,4-7H2,1H3,(H2,18,20)
InChIKeyAGTAOEFFNBDBHA-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.60
Rot. Bonds2

About 6-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide

6-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide (PubChem CID 162582317) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 6-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name6-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide
PubChem CID162582317
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name6-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide
SMILESCC1CCN(C2=CC(C(F)(F)F)CC=C2C(N)=O)CC1
InChIInChI=1S/C14H19F3N2O/c1-9-4-6-19(7-5-9)12-8-10(14(15,16)17)2-3-11(12)13(18)20/h3,8-10H,2,4-7H2,1H3,(H2,18,20)
InChIKeyAGTAOEFFNBDBHA-UHFFFAOYSA-N
XLogP2.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of 6-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide (CID 162582317) is 6-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for 6-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for 6-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide is CC1CCN(C2=CC(C(F)(F)F)CC=C2C(N)=O)CC1.
What is the InChIKey of 6-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is AGTAOEFFNBDBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-9-4-6-19(7-5-9)12-8-10(14(15,16)17)2-3-11(12)13(18)20/h3,8-10H,2,4-7H2,1H3,(H2,18,20).
What are the key properties of 6-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide?
6-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 162582317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).