5-chloro-2-piperazin-1-ylbenzamide

C11H14ClN3O — CID 62494814

IUPAC5-chloro-2-piperazin-1-ylbenzamide
SMILESNC(=O)c1cc(Cl)ccc1N1CCNCC1
InChIInChI=1S/C11H14ClN3O/c12-8-1-2-10(9(7-8)11(13)16)15-5-3-14-4-6-15/h1-2,7,14H,3-6H2,(H2,13,16)
InChIKeyXSKOOBPFBSFXMW-UHFFFAOYSA-N
MW239.71 g/mol
LogP0.85
Rot. Bonds2

About 5-chloro-2-piperazin-1-ylbenzamide

5-chloro-2-piperazin-1-ylbenzamide (PubChem CID 62494814) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 5-chloro-2-piperazin-1-ylbenzamide.

Molecular Properties

Compound Name5-chloro-2-piperazin-1-ylbenzamide
PubChem CID62494814
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name5-chloro-2-piperazin-1-ylbenzamide
SMILESNC(=O)c1cc(Cl)ccc1N1CCNCC1
InChIInChI=1S/C11H14ClN3O/c12-8-1-2-10(9(7-8)11(13)16)15-5-3-14-4-6-15/h1-2,7,14H,3-6H2,(H2,13,16)
InChIKeyXSKOOBPFBSFXMW-UHFFFAOYSA-N
XLogP0.85
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-piperazin-1-ylbenzamide?
The IUPAC name of 5-chloro-2-piperazin-1-ylbenzamide (CID 62494814) is 5-chloro-2-piperazin-1-ylbenzamide.
What is the SMILES notation for 5-chloro-2-piperazin-1-ylbenzamide?
The canonical SMILES for 5-chloro-2-piperazin-1-ylbenzamide is NC(=O)c1cc(Cl)ccc1N1CCNCC1.
What is the InChIKey of 5-chloro-2-piperazin-1-ylbenzamide?
The InChIKey is XSKOOBPFBSFXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c12-8-1-2-10(9(7-8)11(13)16)15-5-3-14-4-6-15/h1-2,7,14H,3-6H2,(H2,13,16).
What are the key properties of 5-chloro-2-piperazin-1-ylbenzamide?
5-chloro-2-piperazin-1-ylbenzamide has a molecular weight of 239.71 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-piperazin-1-ylbenzamide is sourced from PubChem (CID 62494814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).