4-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide

C15H27F3N2O — CID 114428482

IUPAC4-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)N(CC(F)(F)F)C(CC)CC)C1
InChIInChI=1S/C15H27F3N2O/c1-4-11-7-8-19-13(9-11)14(21)20(10-15(16,17)18)12(5-2)6-3/h11-13,19H,4-10H2,1-3H3
InChIKeyCWZVRJKWLIDDDE-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.34
Rot. Bonds6

About 4-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide

4-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide (PubChem CID 114428482) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is 4-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
PubChem CID114428482
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Name4-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)N(CC(F)(F)F)C(CC)CC)C1
InChIInChI=1S/C15H27F3N2O/c1-4-11-7-8-19-13(9-11)14(21)20(10-15(16,17)18)12(5-2)6-3/h11-13,19H,4-10H2,1-3H3
InChIKeyCWZVRJKWLIDDDE-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylethyl)-4-ethyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 114428415
N-butan-2-yl-N,4-diethylpiperidine-2-carboxamide
CID 114428039
2-[(4-ethylpiperidine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 114429250
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 54872289
N-[1-(dimethylamino)propan-2-yl]-N,4-diethylpiperidine-2-carboxamide
CID 103188614
5-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 107435225
4-ethyl-N-methyl-N-(4-methylpentan-2-yl)piperidine-2-carboxamide
CID 114428433
N,N-dibutyl-4-ethylpiperidine-2-carboxamide
CID 114428005
4-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-2-carboxamide
CID 114427893
(2S)-2-[(4-ethylpiperidine-2-carbonyl)amino]butanoic acid
CID 104921968
(2R,5S)-5-[pentan-3-yl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944891
4-ethyl-N-methyl-N-[(2-methylcyclopropyl)methyl]piperidine-2-carboxamide
CID 114429063

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide?
The IUPAC name of 4-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide (CID 114428482) is 4-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide is CCC1CCNC(C(=O)N(CC(F)(F)F)C(CC)CC)C1.
What is the InChIKey of 4-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide?
The InChIKey is CWZVRJKWLIDDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-4-11-7-8-19-13(9-11)14(21)20(10-15(16,17)18)12(5-2)6-3/h11-13,19H,4-10H2,1-3H3.
What are the key properties of 4-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide?
4-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide has a molecular weight of 308.39 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide is sourced from PubChem (CID 114428482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).