1-[2-[methyl-[2-(2,4,6-trimethylphenyl)acetyl]amino]acetyl]piperidine-4-carboxylic acid

C20H28N2O4 — CID 120525461

IUPAC1-[2-[methyl-[2-(2,4,6-trimethylphenyl)acetyl]amino]acetyl]piperidine-4-carboxylic acid
SMILESCc1cc(C)c(CC(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)c(C)c1
InChIInChI=1S/C20H28N2O4/c1-13-9-14(2)17(15(3)10-13)11-18(23)21(4)12-19(24)22-7-5-16(6-8-22)20(25)26/h9-10,16H,5-8,11-12H2,1-4H3,(H,25,26)
InChIKeyJNZZTORSNNDRRA-UHFFFAOYSA-N
MW360.45 g/mol
LogP1.94
Rot. Bonds5

About 1-[2-[methyl-[2-(2,4,6-trimethylphenyl)acetyl]amino]acetyl]piperidine-4-carboxylic acid

1-[2-[methyl-[2-(2,4,6-trimethylphenyl)acetyl]amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 120525461) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 1-[2-[methyl-[2-(2,4,6-trimethylphenyl)acetyl]amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[methyl-[2-(2,4,6-trimethylphenyl)acetyl]amino]acetyl]piperidine-4-carboxylic acid
PubChem CID120525461
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name1-[2-[methyl-[2-(2,4,6-trimethylphenyl)acetyl]amino]acetyl]piperidine-4-carboxylic acid
SMILESCc1cc(C)c(CC(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)c(C)c1
InChIInChI=1S/C20H28N2O4/c1-13-9-14(2)17(15(3)10-13)11-18(23)21(4)12-19(24)22-7-5-16(6-8-22)20(25)26/h9-10,16H,5-8,11-12H2,1-4H3,(H,25,26)
InChIKeyJNZZTORSNNDRRA-UHFFFAOYSA-N
XLogP1.94
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4,6-trimethylphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 120533845
1-[2-[[2-(2,6-dimethylphenyl)acetyl]-methylamino]acetyl]piperidine-3-carboxylic acid
CID 120689288
1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236340
1-[2-[methyl-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetyl]piperidine-4-carboxylic acid
CID 75429408
1-[2-[methyl-[4-(2-methylphenoxy)butanoyl]amino]acetyl]piperidine-4-carboxylic acid
CID 119236349
1-[2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119235996
1-[2-[(5-bromo-2-methylbenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236165
1-[2-[4-cyclopentylbutanoyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236283
1-[2-(N,2-dimethylanilino)acetyl]piperidine-4-carboxylic acid
CID 62657444
1-[2-[3-(4-tert-butylphenyl)propanoyl-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236178
1-[2-[(3,5-dimethoxybenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236084
1-[2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236286

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-[2-(2,4,6-trimethylphenyl)acetyl]amino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[methyl-[2-(2,4,6-trimethylphenyl)acetyl]amino]acetyl]piperidine-4-carboxylic acid (CID 120525461) is 1-[2-[methyl-[2-(2,4,6-trimethylphenyl)acetyl]amino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[methyl-[2-(2,4,6-trimethylphenyl)acetyl]amino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[methyl-[2-(2,4,6-trimethylphenyl)acetyl]amino]acetyl]piperidine-4-carboxylic acid is Cc1cc(C)c(CC(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)c(C)c1.
What is the InChIKey of 1-[2-[methyl-[2-(2,4,6-trimethylphenyl)acetyl]amino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is JNZZTORSNNDRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-13-9-14(2)17(15(3)10-13)11-18(23)21(4)12-19(24)22-7-5-16(6-8-22)20(25)26/h9-10,16H,5-8,11-12H2,1-4H3,(H,25,26).
What are the key properties of 1-[2-[methyl-[2-(2,4,6-trimethylphenyl)acetyl]amino]acetyl]piperidine-4-carboxylic acid?
1-[2-[methyl-[2-(2,4,6-trimethylphenyl)acetyl]amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 360.45 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-[2-(2,4,6-trimethylphenyl)acetyl]amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 120525461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).