N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide

C12H21F3N2O — CID 54871891

IUPACN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)C1CCCCN1
InChIInChI=1S/C12H21F3N2O/c1-9(2)7-17(8-12(13,14)15)11(18)10-5-3-4-6-16-10/h9-10,16H,3-8H2,1-2H3
InChIKeyKXGKJBMBJFTZGC-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.18
Rot. Bonds4

About N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide

N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide (PubChem CID 54871891) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
PubChem CID54871891
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC NameN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)C1CCCCN1
InChIInChI=1S/C12H21F3N2O/c1-9(2)7-17(8-12(13,14)15)11(18)10-5-3-4-6-16-10/h9-10,16H,3-8H2,1-2H3
InChIKeyKXGKJBMBJFTZGC-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide?
The IUPAC name of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide (CID 54871891) is N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide is CC(C)CN(CC(F)(F)F)C(=O)C1CCCCN1.
What is the InChIKey of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide?
The InChIKey is KXGKJBMBJFTZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-9(2)7-17(8-12(13,14)15)11(18)10-5-3-4-6-16-10/h9-10,16H,3-8H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide?
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide has a molecular weight of 266.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide is sourced from PubChem (CID 54871891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).