N-butyl-3-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C15H27F3N2O — CID 63131888

IUPACN-butyl-3-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1(CCC)CCCNC1
InChIInChI=1S/C15H27F3N2O/c1-3-5-10-20(12-15(16,17)18)13(21)14(7-4-2)8-6-9-19-11-14/h19H,3-12H2,1-2H3
InChIKeyJNOAZUINWWCAKY-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.35
Rot. Bonds7

About N-butyl-3-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-butyl-3-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 63131888) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-butyl-3-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-3-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID63131888
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC NameN-butyl-3-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1(CCC)CCCNC1
InChIInChI=1S/C15H27F3N2O/c1-3-5-10-20(12-15(16,17)18)13(21)14(7-4-2)8-6-9-19-11-14/h19H,3-12H2,1-2H3
InChIKeyJNOAZUINWWCAKY-UHFFFAOYSA-N
XLogP3.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-butyl-3-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 63131888) is N-butyl-3-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-butyl-3-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-butyl-3-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCCCN(CC(F)(F)F)C(=O)C1(CCC)CCCNC1.
What is the InChIKey of N-butyl-3-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is JNOAZUINWWCAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-3-5-10-20(12-15(16,17)18)13(21)14(7-4-2)8-6-9-19-11-14/h19H,3-12H2,1-2H3.
What are the key properties of N-butyl-3-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-butyl-3-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 308.39 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 63131888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).