N-(5-methylhexan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide

C14H25F3N2O — CID 114908871

IUPACN-(5-methylhexan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCC(C)CCC(C)NC(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C14H25F3N2O/c1-9(2)4-5-10(3)19-13(20)12-7-6-11(8-18-12)14(15,16)17/h9-12,18H,4-8H2,1-3H3,(H,19,20)
InChIKeyCYFQIEHMYBYORP-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.86
Rot. Bonds5

About N-(5-methylhexan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide

N-(5-methylhexan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 114908871) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID114908871
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC NameN-(5-methylhexan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCC(C)CCC(C)NC(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C14H25F3N2O/c1-9(2)4-5-10(3)19-13(20)12-7-6-11(8-18-12)14(15,16)17/h9-12,18H,4-8H2,1-3H3,(H,19,20)
InChIKeyCYFQIEHMYBYORP-UHFFFAOYSA-N
XLogP2.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-(5-methylhexan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide (CID 114908871) is N-(5-methylhexan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(5-methylhexan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-(5-methylhexan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide is CC(C)CCC(C)NC(=O)C1CCC(C(F)(F)F)CN1.
What is the InChIKey of N-(5-methylhexan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is CYFQIEHMYBYORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-9(2)4-5-10(3)19-13(20)12-7-6-11(8-18-12)14(15,16)17/h9-12,18H,4-8H2,1-3H3,(H,19,20).
What are the key properties of N-(5-methylhexan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
N-(5-methylhexan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 114908871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).