2-[4-(3,5-dimethylphenyl)-3-oxopiperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid

C20H23N3O4 — CID 72867662

IUPAC2-[4-(3,5-dimethylphenyl)-3-oxopiperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid
SMILESCOc1ccc(C(C(=O)O)N2CCN(c3cc(C)cc(C)c3)C(=O)C2)cn1
InChIInChI=1S/C20H23N3O4/c1-13-8-14(2)10-16(9-13)23-7-6-22(12-18(23)24)19(20(25)26)15-4-5-17(27-3)21-11-15/h4-5,8-11,19H,6-7,12H2,1-3H3,(H,25,26)
InChIKeyMCVNSYYIPCSVSL-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.18
Rot. Bonds5

About 2-[4-(3,5-dimethylphenyl)-3-oxopiperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid

2-[4-(3,5-dimethylphenyl)-3-oxopiperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid (PubChem CID 72867662) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[4-(3,5-dimethylphenyl)-3-oxopiperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-[4-(3,5-dimethylphenyl)-3-oxopiperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid
PubChem CID72867662
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name2-[4-(3,5-dimethylphenyl)-3-oxopiperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid
SMILESCOc1ccc(C(C(=O)O)N2CCN(c3cc(C)cc(C)c3)C(=O)C2)cn1
InChIInChI=1S/C20H23N3O4/c1-13-8-14(2)10-16(9-13)23-7-6-22(12-18(23)24)19(20(25)26)15-4-5-17(27-3)21-11-15/h4-5,8-11,19H,6-7,12H2,1-3H3,(H,25,26)
InChIKeyMCVNSYYIPCSVSL-UHFFFAOYSA-N
XLogP2.18
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(3,5-dimethylphenyl)-3-oxopiperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid with MolForge

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Related Compounds

2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid
CID 72900257
(2R)-2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-(3,4-dimethoxyphenyl)acetic acid
CID 97194298
2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetic acid
CID 104822558
1-(2-methoxy-4-pyridinyl)-4-(6-methoxypyrimidin-4-yl)piperazin-2-one
CID 155974547
(2S)-2-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]butanoic acid
CID 124623101
4-(2,5-dimethylfuran-3-carbonyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one
CID 139023042
1-(azepan-1-yl)-2-chloro-2-(6-methoxy-3-pyridinyl)ethanone
CID 114938447
N-(2,5-dimethoxyphenyl)-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide
CID 118794821
2-(4-methylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid
CID 84746485
5-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-3,4-dihydropyrazole-2-carboxamide
CID 170513585
(3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 7016830
3-hydroxy-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoic acid
CID 114938478

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethylphenyl)-3-oxopiperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid?
The IUPAC name of 2-[4-(3,5-dimethylphenyl)-3-oxopiperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid (CID 72867662) is 2-[4-(3,5-dimethylphenyl)-3-oxopiperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-[4-(3,5-dimethylphenyl)-3-oxopiperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid?
The canonical SMILES for 2-[4-(3,5-dimethylphenyl)-3-oxopiperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid is COc1ccc(C(C(=O)O)N2CCN(c3cc(C)cc(C)c3)C(=O)C2)cn1.
What is the InChIKey of 2-[4-(3,5-dimethylphenyl)-3-oxopiperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid?
The InChIKey is MCVNSYYIPCSVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13-8-14(2)10-16(9-13)23-7-6-22(12-18(23)24)19(20(25)26)15-4-5-17(27-3)21-11-15/h4-5,8-11,19H,6-7,12H2,1-3H3,(H,25,26).
What are the key properties of 2-[4-(3,5-dimethylphenyl)-3-oxopiperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid?
2-[4-(3,5-dimethylphenyl)-3-oxopiperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid has a molecular weight of 369.42 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethylphenyl)-3-oxopiperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid is sourced from PubChem (CID 72867662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).