2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

C13H16ClN3O2 — CID 28708781

IUPAC2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESO=C(NCC(=O)N1CCNCC1)c1ccccc1Cl
InChIInChI=1S/C13H16ClN3O2/c14-11-4-2-1-3-10(11)13(19)16-9-12(18)17-7-5-15-6-8-17/h1-4,15H,5-9H2,(H,16,19)
InChIKeyYGRCBIJJNPIJSL-UHFFFAOYSA-N
MW281.74 g/mol
LogP0.50
Rot. Bonds3

About 2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (PubChem CID 28708781) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
PubChem CID28708781
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESO=C(NCC(=O)N1CCNCC1)c1ccccc1Cl
InChIInChI=1S/C13H16ClN3O2/c14-11-4-2-1-3-10(11)13(19)16-9-12(18)17-7-5-15-6-8-17/h1-4,15H,5-9H2,(H,16,19)
InChIKeyYGRCBIJJNPIJSL-UHFFFAOYSA-N
XLogP0.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 28709231
2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708758
2-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 60958295
ethyl 4-[2-[(2-chlorobenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 2622961
2-chloro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 30543359
4-chloro-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61177799
2-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide
CID 62898768
2-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 8891065
N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-2-(trifluoromethyl)benzamide
CID 119415885
2-chloro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 7974806
2-chloro-N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119400258
2-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 62874653

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (CID 28708781) is 2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is O=C(NCC(=O)N1CCNCC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The InChIKey is YGRCBIJJNPIJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c14-11-4-2-1-3-10(11)13(19)16-9-12(18)17-7-5-15-6-8-17/h1-4,15H,5-9H2,(H,16,19).
What are the key properties of 2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide has a molecular weight of 281.74 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 28708781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).