N-butyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C12H21F3N2O — CID 54871193

IUPACN-butyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1CCNCC1
InChIInChI=1S/C12H21F3N2O/c1-2-3-8-17(9-12(13,14)15)11(18)10-4-6-16-7-5-10/h10,16H,2-9H2,1H3
InChIKeyLMDIBFCFLNZGNH-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.18
Rot. Bonds5

About N-butyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

N-butyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 54871193) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is N-butyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID54871193
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC NameN-butyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1CCNCC1
InChIInChI=1S/C12H21F3N2O/c1-2-3-8-17(9-12(13,14)15)11(18)10-4-6-16-7-5-10/h10,16H,2-9H2,1H3
InChIKeyLMDIBFCFLNZGNH-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-butyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 54871193) is N-butyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is CCCCN(CC(F)(F)F)C(=O)C1CCNCC1.
What is the InChIKey of N-butyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is LMDIBFCFLNZGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-2-3-8-17(9-12(13,14)15)11(18)10-4-6-16-7-5-10/h10,16H,2-9H2,1H3.
What are the key properties of N-butyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
N-butyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 266.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 54871193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).