2-[(3S)-4-(2,6-dimethylpyridine-4-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetic acid

C15H19N3O4 — CID 126435916

IUPAC2-[(3S)-4-(2,6-dimethylpyridine-4-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetic acid
SMILESCc1cc(C(=O)N2CCN(CC(=O)O)C(=O)[C@@H]2C)cc(C)n1
InChIInChI=1S/C15H19N3O4/c1-9-6-12(7-10(2)16-9)15(22)18-5-4-17(8-13(19)20)14(21)11(18)3/h6-7,11H,4-5,8H2,1-3H3,(H,19,20)/t11-/m0/s1
InChIKeyGLSKPZIRWHLGRH-NSHDSACASA-N
MW305.33 g/mol
LogP0.46
Rot. Bonds3

About 2-[(3S)-4-(2,6-dimethylpyridine-4-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetic acid

2-[(3S)-4-(2,6-dimethylpyridine-4-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetic acid (PubChem CID 126435916) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-[(3S)-4-(2,6-dimethylpyridine-4-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-4-(2,6-dimethylpyridine-4-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetic acid
PubChem CID126435916
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name2-[(3S)-4-(2,6-dimethylpyridine-4-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetic acid
SMILESCc1cc(C(=O)N2CCN(CC(=O)O)C(=O)[C@@H]2C)cc(C)n1
InChIInChI=1S/C15H19N3O4/c1-9-6-12(7-10(2)16-9)15(22)18-5-4-17(8-13(19)20)14(21)11(18)3/h6-7,11H,4-5,8H2,1-3H3,(H,19,20)/t11-/m0/s1
InChIKeyGLSKPZIRWHLGRH-NSHDSACASA-N
XLogP0.46
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Piperaline fumarate
CID 6441606
2-[(6-Phenylpyridine-2-carbonyl)amino]acetic acid
CID 70687972
(2-Ethylpiperidin-1-yl)-(6-methylpyridin-2-yl)methanone
CID 42943801
N,N-dimethyl-6-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide
CID 95816053
N,N-dimethyl-6-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 95839213
(2-Ethylpiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 108470049
1-(6-Methylpyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 16793373
{1-Methyl-4-[(6-methylpyridin-2-yl)methyl]-10-oxo-1,4,9-triazaspiro[5.6]dodec-9-yl}acetic acid
CID 70771651
N,2,6-trimethyl-N-(1-methylpyrrolidin-3-yl)isonicotinamide
CID 74230483
3-[(Dimethylamino)methyl]-1-(2,6-dimethylisonicotinoyl)pyrrolidin-3-ol
CID 77084907
4-[(4,4-Difluoropiperidin-1-yl)carbonyl]-2,6-dimethylpyridine
CID 77094058
2-[(2,5-Dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-propylamino]acetic acid
CID 86779618

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-(2,6-dimethylpyridine-4-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetic acid?
The IUPAC name of 2-[(3S)-4-(2,6-dimethylpyridine-4-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetic acid (CID 126435916) is 2-[(3S)-4-(2,6-dimethylpyridine-4-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-4-(2,6-dimethylpyridine-4-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetic acid?
The canonical SMILES for 2-[(3S)-4-(2,6-dimethylpyridine-4-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetic acid is Cc1cc(C(=O)N2CCN(CC(=O)O)C(=O)[C@@H]2C)cc(C)n1.
What is the InChIKey of 2-[(3S)-4-(2,6-dimethylpyridine-4-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetic acid?
The InChIKey is GLSKPZIRWHLGRH-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N3O4/c1-9-6-12(7-10(2)16-9)15(22)18-5-4-17(8-13(19)20)14(21)11(18)3/h6-7,11H,4-5,8H2,1-3H3,(H,19,20)/t11-/m0/s1.
What are the key properties of 2-[(3S)-4-(2,6-dimethylpyridine-4-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetic acid?
2-[(3S)-4-(2,6-dimethylpyridine-4-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetic acid has a molecular weight of 305.33 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-(2,6-dimethylpyridine-4-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetic acid is sourced from PubChem (CID 126435916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).