1-[2-[[2-(2,6-dimethylphenyl)acetyl]-methylamino]acetyl]piperidine-3-carboxylic acid

C19H26N2O4 — CID 120689288

IUPAC1-[2-[[2-(2,6-dimethylphenyl)acetyl]-methylamino]acetyl]piperidine-3-carboxylic acid
SMILESCc1cccc(C)c1CC(=O)N(C)CC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C19H26N2O4/c1-13-6-4-7-14(2)16(13)10-17(22)20(3)12-18(23)21-9-5-8-15(11-21)19(24)25/h4,6-7,15H,5,8-12H2,1-3H3,(H,24,25)
InChIKeyJSRCGFXDOLEASP-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.63
Rot. Bonds5

About 1-[2-[[2-(2,6-dimethylphenyl)acetyl]-methylamino]acetyl]piperidine-3-carboxylic acid

1-[2-[[2-(2,6-dimethylphenyl)acetyl]-methylamino]acetyl]piperidine-3-carboxylic acid (PubChem CID 120689288) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[2-[[2-(2,6-dimethylphenyl)acetyl]-methylamino]acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[2-(2,6-dimethylphenyl)acetyl]-methylamino]acetyl]piperidine-3-carboxylic acid
PubChem CID120689288
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name1-[2-[[2-(2,6-dimethylphenyl)acetyl]-methylamino]acetyl]piperidine-3-carboxylic acid
SMILESCc1cccc(C)c1CC(=O)N(C)CC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C19H26N2O4/c1-13-6-4-7-14(2)16(13)10-17(22)20(3)12-18(23)21-9-5-8-15(11-21)19(24)25/h4,6-7,15H,5,8-12H2,1-3H3,(H,24,25)
InChIKeyJSRCGFXDOLEASP-UHFFFAOYSA-N
XLogP1.63
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[[2-(2,6-dimethylphenyl)acetyl]-methylamino]acetyl]piperidine-3-carboxylic 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-[2-[[2-(2,4-difluorophenyl)acetyl]-methylamino]acetyl]piperidine-3-carboxylic acid
CID 120534241
1-[2-[(4-chloro-2-methylbenzoyl)-methylamino]acetyl]piperidine-3-carboxylic acid
CID 120689295
1-[2-[methyl-[2-(2,4,6-trimethylphenyl)acetyl]amino]acetyl]piperidine-4-carboxylic acid
CID 120525461
1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 43092125
1-[2-[methyl-[2-[(2-phenoxyacetyl)amino]acetyl]amino]acetyl]piperidine-3-carboxylic acid
CID 120534234
1-[2-[[3-(3-chlorophenyl)-2-methylpropanoyl]-methylamino]acetyl]piperidine-3-carboxylic acid
CID 120534178
1-[2-(3-methyl-2-pyridinyl)acetyl]piperidine-3-carboxylic acid
CID 107147077
(3R)-1-[2-[methyl-(3-methyl-1,2-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
CID 129468518
1-[2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
CID 120534157
(3S)-1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-3-carboxylic acid
CID 81125681
1-[2-(2,3-dimethylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 43092118
1-[2-[4-methoxypentanoyl(methyl)amino]acetyl]piperidine-3-carboxylic acid
CID 120534260

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(2,6-dimethylphenyl)acetyl]-methylamino]acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-[[2-(2,6-dimethylphenyl)acetyl]-methylamino]acetyl]piperidine-3-carboxylic acid (CID 120689288) is 1-[2-[[2-(2,6-dimethylphenyl)acetyl]-methylamino]acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[[2-(2,6-dimethylphenyl)acetyl]-methylamino]acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[[2-(2,6-dimethylphenyl)acetyl]-methylamino]acetyl]piperidine-3-carboxylic acid is Cc1cccc(C)c1CC(=O)N(C)CC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[2-[[2-(2,6-dimethylphenyl)acetyl]-methylamino]acetyl]piperidine-3-carboxylic acid?
The InChIKey is JSRCGFXDOLEASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-13-6-4-7-14(2)16(13)10-17(22)20(3)12-18(23)21-9-5-8-15(11-21)19(24)25/h4,6-7,15H,5,8-12H2,1-3H3,(H,24,25).
What are the key properties of 1-[2-[[2-(2,6-dimethylphenyl)acetyl]-methylamino]acetyl]piperidine-3-carboxylic acid?
1-[2-[[2-(2,6-dimethylphenyl)acetyl]-methylamino]acetyl]piperidine-3-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(2,6-dimethylphenyl)acetyl]-methylamino]acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 120689288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).