N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide

C15H25F3N2O — CID 134505560

IUPACN-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESCC(C)N1CCC(C)(NC(=O)C2(C(F)(F)F)CCC2)CC1
InChIInChI=1S/C15H25F3N2O/c1-11(2)20-9-7-13(3,8-10-20)19-12(21)14(5-4-6-14)15(16,17)18/h11H,4-10H2,1-3H3,(H,19,21)
InChIKeyKFAMCGOKXDUYOA-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.10
Rot. Bonds3

About N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide

N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide (PubChem CID 134505560) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide
PubChem CID134505560
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC NameN-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESCC(C)N1CCC(C)(NC(=O)C2(C(F)(F)F)CCC2)CC1
InChIInChI=1S/C15H25F3N2O/c1-11(2)20-9-7-13(3,8-10-20)19-12(21)14(5-4-6-14)15(16,17)18/h11H,4-10H2,1-3H3,(H,19,21)
InChIKeyKFAMCGOKXDUYOA-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide (CID 134505560) is N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide is CC(C)N1CCC(C)(NC(=O)C2(C(F)(F)F)CCC2)CC1.
What is the InChIKey of N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The InChIKey is KFAMCGOKXDUYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c1-11(2)20-9-7-13(3,8-10-20)19-12(21)14(5-4-6-14)15(16,17)18/h11H,4-10H2,1-3H3,(H,19,21).
What are the key properties of N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide?
N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 134505560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).