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

C20H28N2O4 — CID 54061472

IUPAC1-acetyl-2-methyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]piperidine-4-carboxylic acid
SMILESCC(=O)N1CCC(C(=O)O)CC1(C)NC(=O)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C20H28N2O4/c1-12-8-13(2)17(14(3)9-12)10-18(24)21-20(5)11-16(19(25)26)6-7-22(20)15(4)23/h8-9,16H,6-7,10-11H2,1-5H3,(H,21,24)(H,25,26)
InChIKeyMAAKXQKVJSLDQC-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.33
Rot. Bonds4

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

1-acetyl-2-methyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]piperidine-4-carboxylic acid (PubChem CID 54061472) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 1-acetyl-2-methyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-acetyl-2-methyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]piperidine-4-carboxylic acid
PubChem CID54061472
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name1-acetyl-2-methyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]piperidine-4-carboxylic acid
SMILESCC(=O)N1CCC(C(=O)O)CC1(C)NC(=O)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C20H28N2O4/c1-12-8-13(2)17(14(3)9-12)10-18(24)21-20(5)11-16(19(25)26)6-7-22(20)15(4)23/h8-9,16H,6-7,10-11H2,1-5H3,(H,21,24)(H,25,26)
InChIKeyMAAKXQKVJSLDQC-UHFFFAOYSA-N
XLogP2.33
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2-methyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]piperidine-4-carboxylic acid?
The IUPAC name of 1-acetyl-2-methyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]piperidine-4-carboxylic acid (CID 54061472) is 1-acetyl-2-methyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-acetyl-2-methyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]piperidine-4-carboxylic acid?
The canonical SMILES for 1-acetyl-2-methyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]piperidine-4-carboxylic acid is CC(=O)N1CCC(C(=O)O)CC1(C)NC(=O)Cc1c(C)cc(C)cc1C.
What is the InChIKey of 1-acetyl-2-methyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]piperidine-4-carboxylic acid?
The InChIKey is MAAKXQKVJSLDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-12-8-13(2)17(14(3)9-12)10-18(24)21-20(5)11-16(19(25)26)6-7-22(20)15(4)23/h8-9,16H,6-7,10-11H2,1-5H3,(H,21,24)(H,25,26).
What are the key properties of 1-acetyl-2-methyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]piperidine-4-carboxylic acid?
1-acetyl-2-methyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]piperidine-4-carboxylic acid has a molecular weight of 360.45 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2-methyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]piperidine-4-carboxylic acid is sourced from PubChem (CID 54061472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).