5-chloro-2-[(2-oxo-2-piperazin-1-ylethyl)amino]benzamide

C13H17ClN4O2 — CID 62495215

IUPAC5-chloro-2-[(2-oxo-2-piperazin-1-ylethyl)amino]benzamide
SMILESNC(=O)c1cc(Cl)ccc1NCC(=O)N1CCNCC1
InChIInChI=1S/C13H17ClN4O2/c14-9-1-2-11(10(7-9)13(15)20)17-8-12(19)18-5-3-16-4-6-18/h1-2,7,16-17H,3-6,8H2,(H2,15,20)
InChIKeyHETLPJVVURGGQH-UHFFFAOYSA-N
MW296.76 g/mol
LogP0.28
Rot. Bonds4

About 5-chloro-2-[(2-oxo-2-piperazin-1-ylethyl)amino]benzamide

5-chloro-2-[(2-oxo-2-piperazin-1-ylethyl)amino]benzamide (PubChem CID 62495215) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is 5-chloro-2-[(2-oxo-2-piperazin-1-ylethyl)amino]benzamide.

Molecular Properties

Compound Name5-chloro-2-[(2-oxo-2-piperazin-1-ylethyl)amino]benzamide
PubChem CID62495215
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name5-chloro-2-[(2-oxo-2-piperazin-1-ylethyl)amino]benzamide
SMILESNC(=O)c1cc(Cl)ccc1NCC(=O)N1CCNCC1
InChIInChI=1S/C13H17ClN4O2/c14-9-1-2-11(10(7-9)13(15)20)17-8-12(19)18-5-3-16-4-6-18/h1-2,7,16-17H,3-6,8H2,(H2,15,20)
InChIKeyHETLPJVVURGGQH-UHFFFAOYSA-N
XLogP0.28
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-nitroanilino)-1-piperazin-1-ylethanone
CID 60895474
5-chloro-2-piperazin-1-ylbenzamide
CID 62494814
4-chloro-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61177799
2-(2,5-dichloroanilino)-1-piperidin-1-ylethanone
CID 28568208
2-(4-chloro-2-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 60631356
5-chloro-2-(pyrrolidin-3-ylmethylamino)benzamide
CID 80564049
2-(3-chloroanilino)-1-(1,4-diazepan-1-yl)ethanone
CID 142710170
2-(2-hydroxyanilino)-1-piperazin-1-ylethanone
CID 82510539
2-[(3-amino-2,2-difluoropropyl)amino]-5-chlorobenzamide
CID 114384429
2-(2-bromo-4-chloroanilino)-1-piperidin-1-ylethanone
CID 80979229
1-[2-(2,4-dichloroanilino)acetyl]piperidine-4-carboxylic acid
CID 103232277
5-chloro-2-(3-piperidin-4-yloxypropylamino)benzamide
CID 63870017

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-oxo-2-piperazin-1-ylethyl)amino]benzamide?
The IUPAC name of 5-chloro-2-[(2-oxo-2-piperazin-1-ylethyl)amino]benzamide (CID 62495215) is 5-chloro-2-[(2-oxo-2-piperazin-1-ylethyl)amino]benzamide.
What is the SMILES notation for 5-chloro-2-[(2-oxo-2-piperazin-1-ylethyl)amino]benzamide?
The canonical SMILES for 5-chloro-2-[(2-oxo-2-piperazin-1-ylethyl)amino]benzamide is NC(=O)c1cc(Cl)ccc1NCC(=O)N1CCNCC1.
What is the InChIKey of 5-chloro-2-[(2-oxo-2-piperazin-1-ylethyl)amino]benzamide?
The InChIKey is HETLPJVVURGGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c14-9-1-2-11(10(7-9)13(15)20)17-8-12(19)18-5-3-16-4-6-18/h1-2,7,16-17H,3-6,8H2,(H2,15,20).
What are the key properties of 5-chloro-2-[(2-oxo-2-piperazin-1-ylethyl)amino]benzamide?
5-chloro-2-[(2-oxo-2-piperazin-1-ylethyl)amino]benzamide has a molecular weight of 296.76 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2-oxo-2-piperazin-1-ylethyl)amino]benzamide is sourced from PubChem (CID 62495215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).