3-ethyl-4-[2-[(1S)-1-hydroxyethyl]phenyl]piperazine-2,6-dione

C14H18N2O3 — CID 66068935

IUPAC3-ethyl-4-[2-[(1S)-1-hydroxyethyl]phenyl]piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1c1ccccc1[C@H](C)O
InChIInChI=1S/C14H18N2O3/c1-3-11-14(19)15-13(18)8-16(11)12-7-5-4-6-10(12)9(2)17/h4-7,9,11,17H,3,8H2,1-2H3,(H,15,18,19)/t9-,11?/m0/s1
InChIKeyOJTOSOCAHPTRQT-FTNKSUMCSA-N
MW262.31 g/mol
LogP0.98
Rot. Bonds3

About 3-ethyl-4-[2-[(1S)-1-hydroxyethyl]phenyl]piperazine-2,6-dione

3-ethyl-4-[2-[(1S)-1-hydroxyethyl]phenyl]piperazine-2,6-dione (PubChem CID 66068935) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-ethyl-4-[2-[(1S)-1-hydroxyethyl]phenyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-4-[2-[(1S)-1-hydroxyethyl]phenyl]piperazine-2,6-dione
PubChem CID66068935
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-ethyl-4-[2-[(1S)-1-hydroxyethyl]phenyl]piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1c1ccccc1[C@H](C)O
InChIInChI=1S/C14H18N2O3/c1-3-11-14(19)15-13(18)8-16(11)12-7-5-4-6-10(12)9(2)17/h4-7,9,11,17H,3,8H2,1-2H3,(H,15,18,19)/t9-,11?/m0/s1
InChIKeyOJTOSOCAHPTRQT-FTNKSUMCSA-N
XLogP0.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-ethyl-4-[2-[(1S)-1-hydroxyethyl]phenyl]piperazine-2,6-dione 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

3-ethyl-4-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenyl]piperazine-2,6-dione
CID 79026793
4-[2-bromo-4-(1-hydroxyethyl)phenyl]-3-ethylpiperazine-2,6-dione
CID 66069126
4-[2-[(1R)-1-hydroxypropyl]phenyl]-3-methylpiperazine-2,6-dione
CID 103960231
3-ethyl-4-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]piperazine-2,6-dione
CID 66068914
4-[2-(1-aminoethyl)phenyl]-3-ethylpiperazin-2-one
CID 63601313
2-amino-3-(2-ethyl-3,5-dioxopiperazin-1-yl)benzenesulfonamide
CID 115992830
4-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]-3-ethylpiperazine-2,6-dione
CID 79026800
4-[4-(1-aminoethyl)-3-hydroxyphenyl]-3-ethylpiperazine-2,6-dione
CID 79603828
3-ethyl-4-(1-oxo-1-phenylpropan-2-yl)piperazine-2,6-dione
CID 66068748
(1R)-1-[2-(2-ethylpyrrolidin-1-yl)phenyl]ethanol
CID 78939880
(1S)-1-[2-(2-ethylpyrrolidin-1-yl)phenyl]ethanol
CID 63370962
4-(2-amino-4-methylphenyl)-3-ethylpiperazine-2,6-dione
CID 66069644

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[2-[(1S)-1-hydroxyethyl]phenyl]piperazine-2,6-dione?
The IUPAC name of 3-ethyl-4-[2-[(1S)-1-hydroxyethyl]phenyl]piperazine-2,6-dione (CID 66068935) is 3-ethyl-4-[2-[(1S)-1-hydroxyethyl]phenyl]piperazine-2,6-dione.
What is the SMILES notation for 3-ethyl-4-[2-[(1S)-1-hydroxyethyl]phenyl]piperazine-2,6-dione?
The canonical SMILES for 3-ethyl-4-[2-[(1S)-1-hydroxyethyl]phenyl]piperazine-2,6-dione is CCC1C(=O)NC(=O)CN1c1ccccc1[C@H](C)O.
What is the InChIKey of 3-ethyl-4-[2-[(1S)-1-hydroxyethyl]phenyl]piperazine-2,6-dione?
The InChIKey is OJTOSOCAHPTRQT-FTNKSUMCSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-11-14(19)15-13(18)8-16(11)12-7-5-4-6-10(12)9(2)17/h4-7,9,11,17H,3,8H2,1-2H3,(H,15,18,19)/t9-,11?/m0/s1.
What are the key properties of 3-ethyl-4-[2-[(1S)-1-hydroxyethyl]phenyl]piperazine-2,6-dione?
3-ethyl-4-[2-[(1S)-1-hydroxyethyl]phenyl]piperazine-2,6-dione has a molecular weight of 262.31 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[2-[(1S)-1-hydroxyethyl]phenyl]piperazine-2,6-dione is sourced from PubChem (CID 66068935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).