2-ethyl-2-[(6-methylpiperidin-3-yl)carbamoyl]butanoic acid;2,2,2-trifluoroacetic acid

C15H25F3N2O5 — CID 136575822

IUPAC2-ethyl-2-[(6-methylpiperidin-3-yl)carbamoyl]butanoic acid;2,2,2-trifluoroacetic acid
SMILESCCC(CC)(C(=O)O)C(=O)NC1CCC(C)NC1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H24N2O3.C2HF3O2/c1-4-13(5-2,12(17)18)11(16)15-10-7-6-9(3)14-8-10;3-2(4,5)1(6)7/h9-10,14H,4-8H2,1-3H3,(H,15,16)(H,17,18);(H,6,7)
InChIKeyOUVVLGWCAAKKGL-UHFFFAOYSA-N
MW370.37 g/mol
LogP1.77
Rot. Bonds5

About 2-ethyl-2-[(6-methylpiperidin-3-yl)carbamoyl]butanoic acid;2,2,2-trifluoroacetic acid

2-ethyl-2-[(6-methylpiperidin-3-yl)carbamoyl]butanoic acid;2,2,2-trifluoroacetic acid (PubChem CID 136575822) has the molecular formula C15H25F3N2O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is 2-ethyl-2-[(6-methylpiperidin-3-yl)carbamoyl]butanoic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-ethyl-2-[(6-methylpiperidin-3-yl)carbamoyl]butanoic acid;2,2,2-trifluoroacetic acid
PubChem CID136575822
Molecular FormulaC15H25F3N2O5
Molecular Weight370.37 g/mol
Exact Mass370.17
IUPAC Name2-ethyl-2-[(6-methylpiperidin-3-yl)carbamoyl]butanoic acid;2,2,2-trifluoroacetic acid
SMILESCCC(CC)(C(=O)O)C(=O)NC1CCC(C)NC1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H24N2O3.C2HF3O2/c1-4-13(5-2,12(17)18)11(16)15-10-7-6-9(3)14-8-10;3-2(4,5)1(6)7/h9-10,14H,4-8H2,1-3H3,(H,15,16)(H,17,18);(H,6,7)
InChIKeyOUVVLGWCAAKKGL-UHFFFAOYSA-N
XLogP1.77
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-ethyl-2-[(6-methylpiperidin-3-yl)carbamoyl]butanoic acid;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,3-trifluoro-N-(6-methylpiperidin-3-yl)-2-(trifluoromethyl)propanamide
CID 103309477
1-ethyl-3-piperidin-4-ylurea;2,2,2-trifluoroacetic acid
CID 174864517
3-(2,2-difluoroethoxy)-N-(6-methylpiperidin-3-yl)propanamide
CID 103206939
2,2-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]butanamide
CID 63009400
(3S)-N-cyclopropylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 171930235
2,5-dihydroxy-N-(6-methylpiperidin-3-yl)benzamide
CID 107721922
N-ethyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 175950885
tris(2-methylaziridine);propanoic acid
CID 175600727
sulfane;2,2,2-trifluoro-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 161088064
N-(4-butylcyclohexyl)-2,2,2-trifluoroacetamide
CID 139316363
1-methyl-3-piperidin-4-ylurea;2,2,2-trifluoroacetic acid
CID 174864512
2-(cyclohexylcarbamoyl)-2-ethylbutanoic acid;2-(2-methylphenyl)propan-2-amine
CID 173415896

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(6-methylpiperidin-3-yl)carbamoyl]butanoic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-ethyl-2-[(6-methylpiperidin-3-yl)carbamoyl]butanoic acid;2,2,2-trifluoroacetic acid (CID 136575822) is 2-ethyl-2-[(6-methylpiperidin-3-yl)carbamoyl]butanoic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-ethyl-2-[(6-methylpiperidin-3-yl)carbamoyl]butanoic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-ethyl-2-[(6-methylpiperidin-3-yl)carbamoyl]butanoic acid;2,2,2-trifluoroacetic acid is CCC(CC)(C(=O)O)C(=O)NC1CCC(C)NC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-ethyl-2-[(6-methylpiperidin-3-yl)carbamoyl]butanoic acid;2,2,2-trifluoroacetic acid?
The InChIKey is OUVVLGWCAAKKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3.C2HF3O2/c1-4-13(5-2,12(17)18)11(16)15-10-7-6-9(3)14-8-10;3-2(4,5)1(6)7/h9-10,14H,4-8H2,1-3H3,(H,15,16)(H,17,18);(H,6,7).
What are the key properties of 2-ethyl-2-[(6-methylpiperidin-3-yl)carbamoyl]butanoic acid;2,2,2-trifluoroacetic acid?
2-ethyl-2-[(6-methylpiperidin-3-yl)carbamoyl]butanoic acid;2,2,2-trifluoroacetic acid has a molecular weight of 370.37 g/mol, XLogP of 1.77, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(6-methylpiperidin-3-yl)carbamoyl]butanoic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 136575822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).