N-methyl-N-(4-methylpentan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide

C14H25F3N2O — CID 114908749

IUPACN-methyl-N-(4-methylpentan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCC(C)CC(C)N(C)C(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C14H25F3N2O/c1-9(2)7-10(3)19(4)13(20)12-6-5-11(8-18-12)14(15,16)17/h9-12,18H,5-8H2,1-4H3
InChIKeyHRUYNJSOIGKUAT-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.81
Rot. Bonds4

About N-methyl-N-(4-methylpentan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide

N-methyl-N-(4-methylpentan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 114908749) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-methyl-N-(4-methylpentan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylpentan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID114908749
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC NameN-methyl-N-(4-methylpentan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCC(C)CC(C)N(C)C(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C14H25F3N2O/c1-9(2)7-10(3)19(4)13(20)12-6-5-11(8-18-12)14(15,16)17/h9-12,18H,5-8H2,1-4H3
InChIKeyHRUYNJSOIGKUAT-UHFFFAOYSA-N
XLogP2.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylpentan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-methyl-N-(4-methylpentan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide (CID 114908749) is N-methyl-N-(4-methylpentan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-methyl-N-(4-methylpentan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-methyl-N-(4-methylpentan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide is CC(C)CC(C)N(C)C(=O)C1CCC(C(F)(F)F)CN1.
What is the InChIKey of N-methyl-N-(4-methylpentan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is HRUYNJSOIGKUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-9(2)7-10(3)19(4)13(20)12-6-5-11(8-18-12)14(15,16)17/h9-12,18H,5-8H2,1-4H3.
What are the key properties of N-methyl-N-(4-methylpentan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
N-methyl-N-(4-methylpentan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylpentan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 114908749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).