2-[(1-acetylpiperidine-3-carbonyl)-methylamino]-2-[2-(trifluoromethyl)phenyl]acetic acid

C18H21F3N2O4 — CID 167745295

IUPAC2-[(1-acetylpiperidine-3-carbonyl)-methylamino]-2-[2-(trifluoromethyl)phenyl]acetic acid
SMILESCC(=O)N1CCCC(C(=O)N(C)C(C(=O)O)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C18H21F3N2O4/c1-11(24)23-9-5-6-12(10-23)16(25)22(2)15(17(26)27)13-7-3-4-8-14(13)18(19,20)21/h3-4,7-8,12,15H,5-6,9-10H2,1-2H3,(H,26,27)
InChIKeyDUCHVAYQXBCMLL-UHFFFAOYSA-N
MW386.37 g/mol
LogP2.55
Rot. Bonds4

About 2-[(1-acetylpiperidine-3-carbonyl)-methylamino]-2-[2-(trifluoromethyl)phenyl]acetic acid

2-[(1-acetylpiperidine-3-carbonyl)-methylamino]-2-[2-(trifluoromethyl)phenyl]acetic acid (PubChem CID 167745295) has the molecular formula C18H21F3N2O4 and a molecular weight of 386.37 g/mol. Its IUPAC name is 2-[(1-acetylpiperidine-3-carbonyl)-methylamino]-2-[2-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[(1-acetylpiperidine-3-carbonyl)-methylamino]-2-[2-(trifluoromethyl)phenyl]acetic acid
PubChem CID167745295
Molecular FormulaC18H21F3N2O4
Molecular Weight386.37 g/mol
Exact Mass386.15
IUPAC Name2-[(1-acetylpiperidine-3-carbonyl)-methylamino]-2-[2-(trifluoromethyl)phenyl]acetic acid
SMILESCC(=O)N1CCCC(C(=O)N(C)C(C(=O)O)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C18H21F3N2O4/c1-11(24)23-9-5-6-12(10-23)16(25)22(2)15(17(26)27)13-7-3-4-8-14(13)18(19,20)21/h3-4,7-8,12,15H,5-6,9-10H2,1-2H3,(H,26,27)
InChIKeyDUCHVAYQXBCMLL-UHFFFAOYSA-N
XLogP2.55
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1-acetylpiperidine-3-carbonyl)-methylamino]-2-[2-(trifluoromethyl)phenyl]acetic 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

1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide
CID 110686080
3-[[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-methylcarbamoyl]piperidine-1-carboxylic acid
CID 170551189
(3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 51518671
N-methyl-N-(1-phenylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134062209
2-[cyclopropyl(formyl)amino]-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 63687625
1-(dimethylamino)-1-[2-(trifluoromethyl)phenyl]propan-2-one
CID 67726299
(3R)-1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]piperidine-3-carboxamide
CID 94818335
1-acetyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide
CID 110686139
2-chloro-1-pyrrolidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanone
CID 62226867
N-methyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 171336017
methyl (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylate
CID 97355286
1-acetylpiperidine-3-carboxylic acid
CID 14043896

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetylpiperidine-3-carbonyl)-methylamino]-2-[2-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[(1-acetylpiperidine-3-carbonyl)-methylamino]-2-[2-(trifluoromethyl)phenyl]acetic acid (CID 167745295) is 2-[(1-acetylpiperidine-3-carbonyl)-methylamino]-2-[2-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[(1-acetylpiperidine-3-carbonyl)-methylamino]-2-[2-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[(1-acetylpiperidine-3-carbonyl)-methylamino]-2-[2-(trifluoromethyl)phenyl]acetic acid is CC(=O)N1CCCC(C(=O)N(C)C(C(=O)O)c2ccccc2C(F)(F)F)C1.
What is the InChIKey of 2-[(1-acetylpiperidine-3-carbonyl)-methylamino]-2-[2-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is DUCHVAYQXBCMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O4/c1-11(24)23-9-5-6-12(10-23)16(25)22(2)15(17(26)27)13-7-3-4-8-14(13)18(19,20)21/h3-4,7-8,12,15H,5-6,9-10H2,1-2H3,(H,26,27).
What are the key properties of 2-[(1-acetylpiperidine-3-carbonyl)-methylamino]-2-[2-(trifluoromethyl)phenyl]acetic acid?
2-[(1-acetylpiperidine-3-carbonyl)-methylamino]-2-[2-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 386.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetylpiperidine-3-carbonyl)-methylamino]-2-[2-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 167745295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).