2-amino-3-(2-ethyl-3-oxopiperazin-1-yl)benzamide

C13H18N4O2 — CID 113332983

IUPAC2-amino-3-(2-ethyl-3-oxopiperazin-1-yl)benzamide
SMILESCCC1C(=O)NCCN1c1cccc(C(N)=O)c1N
InChIInChI=1S/C13H18N4O2/c1-2-9-13(19)16-6-7-17(9)10-5-3-4-8(11(10)14)12(15)18/h3-5,9H,2,6-7,14H2,1H3,(H2,15,18)(H,16,19)
InChIKeyGAEXIHPMXPHWCZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.08
Rot. Bonds3

About 2-amino-3-(2-ethyl-3-oxopiperazin-1-yl)benzamide

2-amino-3-(2-ethyl-3-oxopiperazin-1-yl)benzamide (PubChem CID 113332983) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-amino-3-(2-ethyl-3-oxopiperazin-1-yl)benzamide.

Molecular Properties

Compound Name2-amino-3-(2-ethyl-3-oxopiperazin-1-yl)benzamide
PubChem CID113332983
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-amino-3-(2-ethyl-3-oxopiperazin-1-yl)benzamide
SMILESCCC1C(=O)NCCN1c1cccc(C(N)=O)c1N
InChIInChI=1S/C13H18N4O2/c1-2-9-13(19)16-6-7-17(9)10-5-3-4-8(11(10)14)12(15)18/h3-5,9H,2,6-7,14H2,1H3,(H2,15,18)(H,16,19)
InChIKeyGAEXIHPMXPHWCZ-UHFFFAOYSA-N
XLogP0.08
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-4-(2-propanoylphenyl)piperazin-2-one
CID 112677437
2-amino-5-(2-ethyl-3-oxopiperazin-1-yl)benzamide
CID 63604254
2-(2-ethyl-3-oxopiperazin-1-yl)-6-fluorobenzenecarbothioamide
CID 79519495
4-(2-amino-3-pyridinyl)-3-ethylpiperazin-2-one
CID 104540385
ethyl 2-amino-3-(2-methyl-3-oxopiperazin-1-yl)benzoate
CID 115546129
4-[2-(1-aminoethyl)phenyl]-3-ethylpiperazin-2-one
CID 63601313
4-[2-(1-aminopropyl)phenyl]-3-ethylpiperazin-2-one
CID 112678134
2-[3-[(2S)-2-ethyl-3-oxopiperazine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 126436640
3-(2-ethyl-3-oxopiperazin-1-yl)pyridazine-4-carbothioamide
CID 80511882
4-(4-amino-2-chlorophenyl)-3-ethylpiperazin-2-one
CID 55227245
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
4-[4-amino-2-(difluoromethyl)phenyl]-3-ethylpiperazin-2-one
CID 55229272

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-ethyl-3-oxopiperazin-1-yl)benzamide?
The IUPAC name of 2-amino-3-(2-ethyl-3-oxopiperazin-1-yl)benzamide (CID 113332983) is 2-amino-3-(2-ethyl-3-oxopiperazin-1-yl)benzamide.
What is the SMILES notation for 2-amino-3-(2-ethyl-3-oxopiperazin-1-yl)benzamide?
The canonical SMILES for 2-amino-3-(2-ethyl-3-oxopiperazin-1-yl)benzamide is CCC1C(=O)NCCN1c1cccc(C(N)=O)c1N.
What is the InChIKey of 2-amino-3-(2-ethyl-3-oxopiperazin-1-yl)benzamide?
The InChIKey is GAEXIHPMXPHWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-2-9-13(19)16-6-7-17(9)10-5-3-4-8(11(10)14)12(15)18/h3-5,9H,2,6-7,14H2,1H3,(H2,15,18)(H,16,19).
What are the key properties of 2-amino-3-(2-ethyl-3-oxopiperazin-1-yl)benzamide?
2-amino-3-(2-ethyl-3-oxopiperazin-1-yl)benzamide has a molecular weight of 262.31 g/mol, XLogP of 0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-ethyl-3-oxopiperazin-1-yl)benzamide is sourced from PubChem (CID 113332983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).