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

C13H19N3O2 — CID 43600333

IUPAC3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCNCC1)c1cccc(O)c1
InChIInChI=1S/C13H19N3O2/c17-12-3-1-2-11(10-12)13(18)15-6-9-16-7-4-14-5-8-16/h1-3,10,14,17H,4-9H2,(H,15,18)
InChIKeyFHGAXIKNPVURAW-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.03
Rot. Bonds4

About 3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide

3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide (PubChem CID 43600333) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide
PubChem CID43600333
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCNCC1)c1cccc(O)c1
InChIInChI=1S/C13H19N3O2/c17-12-3-1-2-11(10-12)13(18)15-6-9-16-7-4-14-5-8-16/h1-3,10,14,17H,4-9H2,(H,15,18)
InChIKeyFHGAXIKNPVURAW-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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Related Compounds

N-(2-piperazin-1-ylethyl)quinoline-6-carboxamide
CID 62875225
3-ethoxy-N-(2-piperazin-1-ylethyl)benzamide
CID 119447922
N-(2-piperazin-1-ylethyl)-3-propoxybenzamide
CID 62050340
3-N-methyl-3-N-phenyl-1-N-(2-piperazin-1-ylethyl)benzene-1,3-dicarboxamide
CID 119446970
3-(2-methoxyethoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119444759
3-[(2,2-dimethylpropanoylamino)methyl]-N-(2-piperazin-1-ylethyl)benzamide
CID 138647753
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81471524
2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide
CID 43422024
N-(2-piperazin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119448229
3-benzylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119446967

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide (CID 43600333) is 3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide is O=C(NCCN1CCNCC1)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide?
The InChIKey is FHGAXIKNPVURAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-12-3-1-2-11(10-12)13(18)15-6-9-16-7-4-14-5-8-16/h1-3,10,14,17H,4-9H2,(H,15,18).
What are the key properties of 3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide?
3-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 3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 43600333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).