(2R,4R)-N-ethyl-4-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid

C11H19F3N2O3 — CID 67812892

IUPAC(2R,4R)-N-ethyl-4-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCNC(=O)[C@H]1C[C@H](C)CCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O.C2HF3O2/c1-3-10-9(12)8-6-7(2)4-5-11-8;3-2(4,5)1(6)7/h7-8,11H,3-6H2,1-2H3,(H,10,12);(H,6,7)/t7-,8-;/m1./s1
InChIKeyCOKBDNZIOOYFQJ-SCLLHFNJSA-N
MW284.28 g/mol
LogP1.14
Rot. Bonds2

About (2R,4R)-N-ethyl-4-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid

(2R,4R)-N-ethyl-4-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 67812892) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is (2R,4R)-N-ethyl-4-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2R,4R)-N-ethyl-4-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID67812892
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name(2R,4R)-N-ethyl-4-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCNC(=O)[C@H]1C[C@H](C)CCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O.C2HF3O2/c1-3-10-9(12)8-6-7(2)4-5-11-8;3-2(4,5)1(6)7/h7-8,11H,3-6H2,1-2H3,(H,10,12);(H,6,7)/t7-,8-;/m1./s1
InChIKeyCOKBDNZIOOYFQJ-SCLLHFNJSA-N
XLogP1.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,6S)-3-(4-aminobutyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 57393165
2-Carbamoyl-4-methylpiperidine-1-carboxylic acid
CID 77829029
N-[(2S)-1-amino-1-oxopropan-2-yl]-4,4-difluorocyclohexane-1-carboxamide
CID 75484149
2-[2-Oxo-4-(3,3,3-trifluoropropyl)piperidin-1-yl]butanamide
CID 9965499
Piperidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 19382392
2-[4-(2,2-Difluoropropyl)-2-oxopiperidin-1-yl]butanamide
CID 21990270
[(1S,3R)-3-amino-2,2-dimethylcyclobutyl]-(4-ethylpiperazin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 66874348
tert-butyl-[(2S)-3-cyclohexyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid
CID 67190913
[(2S)-3-cyclohexyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid
CID 67192808
2-amino-2-cyclohexyl-N-(2-cyclohexylethyl)acetamide;2,2,2-trifluoroacetic acid
CID 67205424
(2S)-N,N-dimethylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 67427860
(3R)-2-tert-butyl-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylic acid
CID 67464232

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-ethyl-4-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2R,4R)-N-ethyl-4-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 67812892) is (2R,4R)-N-ethyl-4-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2R,4R)-N-ethyl-4-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2R,4R)-N-ethyl-4-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid is CCNC(=O)[C@H]1C[C@H](C)CCN1.O=C(O)C(F)(F)F.
What is the InChIKey of (2R,4R)-N-ethyl-4-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is COKBDNZIOOYFQJ-SCLLHFNJSA-N. The full InChI is InChI=1S/C9H18N2O.C2HF3O2/c1-3-10-9(12)8-6-7(2)4-5-11-8;3-2(4,5)1(6)7/h7-8,11H,3-6H2,1-2H3,(H,10,12);(H,6,7)/t7-,8-;/m1./s1.
What are the key properties of (2R,4R)-N-ethyl-4-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid?
(2R,4R)-N-ethyl-4-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 284.28 g/mol, XLogP of 1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-ethyl-4-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67812892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).