4-[3-(2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]benzoic acid

C15H18N2O4 — CID 119183130

IUPAC4-[3-(2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]benzoic acid
SMILESCC1C(=O)NCCN1C(=O)CCc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H18N2O4/c1-10-14(19)16-8-9-17(10)13(18)7-4-11-2-5-12(6-3-11)15(20)21/h2-3,5-6,10H,4,7-9H2,1H3,(H,16,19)(H,20,21)
InChIKeyUOLLNMDZKZWAAL-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.66
Rot. Bonds4

About 4-[3-(2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]benzoic acid

4-[3-(2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]benzoic acid (PubChem CID 119183130) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[3-(2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]benzoic acid.

Molecular Properties

Compound Name4-[3-(2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]benzoic acid
PubChem CID119183130
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name4-[3-(2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]benzoic acid
SMILESCC1C(=O)NCCN1C(=O)CCc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H18N2O4/c1-10-14(19)16-8-9-17(10)13(18)7-4-11-2-5-12(6-3-11)15(20)21/h2-3,5-6,10H,4,7-9H2,1H3,(H,16,19)(H,20,21)
InChIKeyUOLLNMDZKZWAAL-UHFFFAOYSA-N
XLogP0.66
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropyl]benzoic acid
CID 119184179
(3S)-4-(4-benzylbenzoyl)-3-methylpiperazin-2-one
CID 25283951
3-methyl-4-(2-phenoxyacetyl)piperazin-2-one
CID 63079192
2-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]sulfanylacetic acid
CID 104569931
3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoyl]piperazin-2-one
CID 110420424
4-[3-(2-bromo-5-fluorophenyl)propanoyl]-3-methylpiperazin-2-one
CID 86788493
3-methyl-4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-2-one
CID 63089357
(3R)-4-[4-(benzenesulfonyl)butanoyl]-3-methylpiperazin-2-one
CID 25283999
3,3-dimethyl-5-[(2S)-2-methyl-3-oxopiperazin-1-yl]-5-oxopentanoic acid
CID 124555735
benzyl (2R)-2-methyl-3-oxopiperazine-1-carboxylate
CID 72699156
benzyl (2S)-2-methyl-3-oxopiperazine-1-carboxylate
CID 54227046
(3R)-3-methyl-4-(4-phenylbenzoyl)piperazin-2-one
CID 25283888

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]benzoic acid?
The IUPAC name of 4-[3-(2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]benzoic acid (CID 119183130) is 4-[3-(2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]benzoic acid.
What is the SMILES notation for 4-[3-(2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]benzoic acid?
The canonical SMILES for 4-[3-(2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]benzoic acid is CC1C(=O)NCCN1C(=O)CCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[3-(2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]benzoic acid?
The InChIKey is UOLLNMDZKZWAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10-14(19)16-8-9-17(10)13(18)7-4-11-2-5-12(6-3-11)15(20)21/h2-3,5-6,10H,4,7-9H2,1H3,(H,16,19)(H,20,21).
What are the key properties of 4-[3-(2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]benzoic acid?
4-[3-(2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]benzoic acid has a molecular weight of 290.32 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]benzoic acid is sourced from PubChem (CID 119183130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).