2-[(2-ethyl-3-oxopiperazin-1-yl)methyl]furan-3-carboxylic acid

C12H16N2O4 — CID 63600974

IUPAC2-[(2-ethyl-3-oxopiperazin-1-yl)methyl]furan-3-carboxylic acid
SMILESCCC1C(=O)NCCN1Cc1occc1C(=O)O
InChIInChI=1S/C12H16N2O4/c1-2-9-11(15)13-4-5-14(9)7-10-8(12(16)17)3-6-18-10/h3,6,9H,2,4-5,7H2,1H3,(H,13,15)(H,16,17)
InChIKeyPPZYKJCRCRZGBW-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.69
Rot. Bonds4

About 2-[(2-ethyl-3-oxopiperazin-1-yl)methyl]furan-3-carboxylic acid

2-[(2-ethyl-3-oxopiperazin-1-yl)methyl]furan-3-carboxylic acid (PubChem CID 63600974) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[(2-ethyl-3-oxopiperazin-1-yl)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-ethyl-3-oxopiperazin-1-yl)methyl]furan-3-carboxylic acid
PubChem CID63600974
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[(2-ethyl-3-oxopiperazin-1-yl)methyl]furan-3-carboxylic acid
SMILESCCC1C(=O)NCCN1Cc1occc1C(=O)O
InChIInChI=1S/C12H16N2O4/c1-2-9-11(15)13-4-5-14(9)7-10-8(12(16)17)3-6-18-10/h3,6,9H,2,4-5,7H2,1H3,(H,13,15)(H,16,17)
InChIKeyPPZYKJCRCRZGBW-UHFFFAOYSA-N
XLogP0.69
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-ethyl-3-oxopiperazin-1-yl)methyl]furan-3-carboxylic 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-(2-ethyl-3-oxopiperazin-1-yl)acetic acid
CID 63600273
2-[(3-ethylmorpholin-4-yl)methyl]furan-3-carboxylic acid
CID 43613412
methyl 4-[[(2S)-2-ethyl-3-oxopiperazin-1-yl]methyl]benzoate
CID 124545764
3-ethyl-4-(2-oxopropyl)piperazin-2-one
CID 63600634
3-ethyl-4-(2-oxo-3-phenylpropyl)piperazin-2-one
CID 63602203
2-[(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)methyl]furan-3-carboxylic acid
CID 114512897
4-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-ethylpiperazin-2-one
CID 63888466
3-[5-[(2-ethyl-3-oxopiperazin-1-yl)methyl]thiophen-3-yl]prop-2-enoic acid
CID 77000465
4-[(3-amino-4-hydroxyphenyl)methyl]-3-ethylpiperazin-2-one
CID 63602866
4-(3,3-dimethyl-2-oxobutyl)-3-ethylpiperazin-2-one
CID 63600469
5-[(2-ethyl-3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63601224
(3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one
CID 99929898

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-3-oxopiperazin-1-yl)methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[(2-ethyl-3-oxopiperazin-1-yl)methyl]furan-3-carboxylic acid (CID 63600974) is 2-[(2-ethyl-3-oxopiperazin-1-yl)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[(2-ethyl-3-oxopiperazin-1-yl)methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[(2-ethyl-3-oxopiperazin-1-yl)methyl]furan-3-carboxylic acid is CCC1C(=O)NCCN1Cc1occc1C(=O)O.
What is the InChIKey of 2-[(2-ethyl-3-oxopiperazin-1-yl)methyl]furan-3-carboxylic acid?
The InChIKey is PPZYKJCRCRZGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-2-9-11(15)13-4-5-14(9)7-10-8(12(16)17)3-6-18-10/h3,6,9H,2,4-5,7H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[(2-ethyl-3-oxopiperazin-1-yl)methyl]furan-3-carboxylic acid?
2-[(2-ethyl-3-oxopiperazin-1-yl)methyl]furan-3-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-3-oxopiperazin-1-yl)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 63600974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).