2-[4-methyl-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid

C18H18N2O4 — CID 110284430

IUPAC2-[4-methyl-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid
SMILESCN1CCN(C(=O)c2cccc3ccccc23)C(CC(=O)O)C1=O
InChIInChI=1S/C18H18N2O4/c1-19-9-10-20(15(18(19)24)11-16(21)22)17(23)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,15H,9-11H2,1H3,(H,21,22)
InChIKeyYIIUIOXVRZRPIV-UHFFFAOYSA-N
MW326.35 g/mol
LogP1.60
Rot. Bonds3

About 2-[4-methyl-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid

2-[4-methyl-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid (PubChem CID 110284430) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-[4-methyl-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid
PubChem CID110284430
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-[4-methyl-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid
SMILESCN1CCN(C(=O)c2cccc3ccccc23)C(CC(=O)O)C1=O
InChIInChI=1S/C18H18N2O4/c1-19-9-10-20(15(18(19)24)11-16(21)22)17(23)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,15H,9-11H2,1H3,(H,21,22)
InChIKeyYIIUIOXVRZRPIV-UHFFFAOYSA-N
XLogP1.60
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-methyl-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic 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

2-(1-benzoyl-4-methyl-3-oxopiperazin-2-yl)acetic acid
CID 110284310
2-[4-(cyclopropylmethyl)-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284433
2-[4-[(3,5-difluorophenyl)methyl]-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284445
2-[1-(cyclopropanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid
CID 110284344
2-(1,4-dimethyl-3-oxopiperazin-2-yl)acetic acid
CID 53408603
2-[1-(cyclopentanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid
CID 110284378
[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
CID 13185578
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 14622137
(4-cyclopropyl-2-phenylpiperazin-1-yl)-naphthalen-1-ylmethanone
CID 90566745
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
naphthalene-1-carboxylic acid;propanoic acid
CID 161134976
2-[1-(2-methylsulfanylpyridine-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 62034402

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[4-methyl-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid (CID 110284430) is 2-[4-methyl-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-methyl-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[4-methyl-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid is CN1CCN(C(=O)c2cccc3ccccc23)C(CC(=O)O)C1=O.
What is the InChIKey of 2-[4-methyl-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is YIIUIOXVRZRPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-19-9-10-20(15(18(19)24)11-16(21)22)17(23)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,15H,9-11H2,1H3,(H,21,22).
What are the key properties of 2-[4-methyl-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid?
2-[4-methyl-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 326.35 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 110284430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).