2-hydroxy-N-(2-piperazin-1-ylethyl)benzamide

C13H19N3O2 — CID 818203

IUPAC2-hydroxy-N-(2-piperazin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCNCC1)c1ccccc1O
InChIInChI=1S/C13H19N3O2/c17-12-4-2-1-3-11(12)13(18)15-7-10-16-8-5-14-6-9-16/h1-4,14,17H,5-10H2,(H,15,18)
InChIKeyWPJNDRWBEBCQCH-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.03
Rot. Bonds4

About 2-hydroxy-N-(2-piperazin-1-ylethyl)benzamide

2-hydroxy-N-(2-piperazin-1-ylethyl)benzamide (PubChem CID 818203) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-hydroxy-N-(2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-piperazin-1-ylethyl)benzamide
PubChem CID818203
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-hydroxy-N-(2-piperazin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCNCC1)c1ccccc1O
InChIInChI=1S/C13H19N3O2/c17-12-4-2-1-3-11(12)13(18)15-7-10-16-8-5-14-6-9-16/h1-4,14,17H,5-10H2,(H,15,18)
InChIKeyWPJNDRWBEBCQCH-UHFFFAOYSA-N
XLogP0.03
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 2-hydroxy-N-(2-piperazin-1-ylethyl)benzamide (CID 818203) is 2-hydroxy-N-(2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 2-hydroxy-N-(2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 2-hydroxy-N-(2-piperazin-1-ylethyl)benzamide is O=C(NCCN1CCNCC1)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-(2-piperazin-1-ylethyl)benzamide?
The InChIKey is WPJNDRWBEBCQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-12-4-2-1-3-11(12)13(18)15-7-10-16-8-5-14-6-9-16/h1-4,14,17H,5-10H2,(H,15,18).
What are the key properties of 2-hydroxy-N-(2-piperazin-1-ylethyl)benzamide?
2-hydroxy-N-(2-piperazin-1-ylethyl)benzamide has a molecular weight of 249.31 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 818203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).