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

C13H23F3N2O — CID 107067711

IUPACN-butyl-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1NCCCC1C
InChIInChI=1S/C13H23F3N2O/c1-3-4-8-18(9-13(14,15)16)12(19)11-10(2)6-5-7-17-11/h10-11,17H,3-9H2,1-2H3
InChIKeyVEFIBPOVOOSNSN-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.57
Rot. Bonds5

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

N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide (PubChem CID 107067711) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
PubChem CID107067711
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC NameN-butyl-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1NCCCC1C
InChIInChI=1S/C13H23F3N2O/c1-3-4-8-18(9-13(14,15)16)12(19)11-10(2)6-5-7-17-11/h10-11,17H,3-9H2,1-2H3
InChIKeyVEFIBPOVOOSNSN-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibutyl-3-methylpiperidine-2-carboxamide
CID 62339284
N-(2-amino-2-oxoethyl)-N-butyl-3-methylpiperidine-2-carboxamide
CID 55060466
N,N-bis(2-hydroxyethyl)-3-methylpiperidine-2-carboxamide
CID 62339294
N-(cyclopropylmethyl)-3-methyl-N-propylpiperidine-2-carboxamide
CID 107067242
2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975228
(2R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 93371950
2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 64822616
N,N-dibutyl-2-(3-methylpiperidin-2-yl)acetamide
CID 107147528
N-cyclopropyl-N-ethyl-3-methylpiperidine-2-carboxamide
CID 107067196
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide
CID 107067646
N-butyl-2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 78868725
N-ethyl-3-methyl-N-propylpyrrolidine-2-carboxamide
CID 102777244

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide?
The IUPAC name of N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide (CID 107067711) is N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide?
The canonical SMILES for N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide is CCCCN(CC(F)(F)F)C(=O)C1NCCCC1C.
What is the InChIKey of N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide?
The InChIKey is VEFIBPOVOOSNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-3-4-8-18(9-13(14,15)16)12(19)11-10(2)6-5-7-17-11/h10-11,17H,3-9H2,1-2H3.
What are the key properties of N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide?
N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide is sourced from PubChem (CID 107067711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).