2-amino-5-(2-ethyl-3-oxopiperazin-1-yl)benzamide

C13H18N4O2 — CID 63604254

IUPAC2-amino-5-(2-ethyl-3-oxopiperazin-1-yl)benzamide
SMILESCCC1C(=O)NCCN1c1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C13H18N4O2/c1-2-11-13(19)16-5-6-17(11)8-3-4-10(14)9(7-8)12(15)18/h3-4,7,11H,2,5-6,14H2,1H3,(H2,15,18)(H,16,19)
InChIKeyQFPTWRFACUJKCY-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.08
Rot. Bonds3

About 2-amino-5-(2-ethyl-3-oxopiperazin-1-yl)benzamide

2-amino-5-(2-ethyl-3-oxopiperazin-1-yl)benzamide (PubChem CID 63604254) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-amino-5-(2-ethyl-3-oxopiperazin-1-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-(2-ethyl-3-oxopiperazin-1-yl)benzamide
PubChem CID63604254
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-amino-5-(2-ethyl-3-oxopiperazin-1-yl)benzamide
SMILESCCC1C(=O)NCCN1c1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C13H18N4O2/c1-2-11-13(19)16-5-6-17(11)8-3-4-10(14)9(7-8)12(15)18/h3-4,7,11H,2,5-6,14H2,1H3,(H2,15,18)(H,16,19)
InChIKeyQFPTWRFACUJKCY-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

2-amino-3-(2-ethyl-3-oxopiperazin-1-yl)benzamide
CID 113332983
5-(2-ethyl-3-oxopiperazin-1-yl)pyridine-2-carbothioamide
CID 113320934
2-amino-5-[(2R)-2-ethyl-4-methylpiperidin-1-yl]benzamide
CID 156693593
3-(2-ethyl-3-oxopiperazin-1-yl)pyridazine-4-carbothioamide
CID 80511882
4-(3-amino-5-methylphenyl)-3-ethylpiperazin-2-one
CID 112647787
2-(2-ethyl-3-oxopiperazin-1-yl)pyridine-4-carbothioamide
CID 63604908
2-amino-5-[(2S)-4-ethyl-2-methylpiperazin-1-yl]benzamide
CID 153382151
4-(5-amino-2-bromobenzoyl)-3-ethylpiperazin-2-one
CID 55215755
3-ethyl-4-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperazin-2-one
CID 63602571
3-ethyl-4-(2-propanoylphenyl)piperazin-2-one
CID 112677437
4-(4-amino-2-chlorophenyl)-3-ethylpiperazin-2-one
CID 55227245
4-(2-amino-4-fluoro-5-methylphenyl)-3-ethylpiperazin-2-one
CID 103590402

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-ethyl-3-oxopiperazin-1-yl)benzamide?
The IUPAC name of 2-amino-5-(2-ethyl-3-oxopiperazin-1-yl)benzamide (CID 63604254) is 2-amino-5-(2-ethyl-3-oxopiperazin-1-yl)benzamide.
What is the SMILES notation for 2-amino-5-(2-ethyl-3-oxopiperazin-1-yl)benzamide?
The canonical SMILES for 2-amino-5-(2-ethyl-3-oxopiperazin-1-yl)benzamide is CCC1C(=O)NCCN1c1ccc(N)c(C(N)=O)c1.
What is the InChIKey of 2-amino-5-(2-ethyl-3-oxopiperazin-1-yl)benzamide?
The InChIKey is QFPTWRFACUJKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-2-11-13(19)16-5-6-17(11)8-3-4-10(14)9(7-8)12(15)18/h3-4,7,11H,2,5-6,14H2,1H3,(H2,15,18)(H,16,19).
What are the key properties of 2-amino-5-(2-ethyl-3-oxopiperazin-1-yl)benzamide?
2-amino-5-(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-5-(2-ethyl-3-oxopiperazin-1-yl)benzamide is sourced from PubChem (CID 63604254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).