2-hydroxy-N-phenyl-4-piperazin-1-ylbenzamide

C17H19N3O2 — CID 126622011

IUPAC2-hydroxy-N-phenyl-4-piperazin-1-ylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(N2CCNCC2)cc1O
InChIInChI=1S/C17H19N3O2/c21-16-12-14(20-10-8-18-9-11-20)6-7-15(16)17(22)19-13-4-2-1-3-5-13/h1-7,12,18,21H,8-11H2,(H,19,22)
InChIKeyQKDITCGHGWRJBC-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.05
Rot. Bonds3

About 2-hydroxy-N-phenyl-4-piperazin-1-ylbenzamide

2-hydroxy-N-phenyl-4-piperazin-1-ylbenzamide (PubChem CID 126622011) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-hydroxy-N-phenyl-4-piperazin-1-ylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-phenyl-4-piperazin-1-ylbenzamide
PubChem CID126622011
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-hydroxy-N-phenyl-4-piperazin-1-ylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(N2CCNCC2)cc1O
InChIInChI=1S/C17H19N3O2/c21-16-12-14(20-10-8-18-9-11-20)6-7-15(16)17(22)19-13-4-2-1-3-5-13/h1-7,12,18,21H,8-11H2,(H,19,22)
InChIKeyQKDITCGHGWRJBC-UHFFFAOYSA-N
XLogP2.05
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-benzoylphenyl)-4-piperazin-1-ylbenzamide
CID 174547037
2-hydroxy-N-phenylbenzamide
CID 157209959
2-chloro-4-fluoro-N-(4-piperazin-1-ylphenyl)benzamide;2,2,2-trifluoroacetic acid
CID 172895118
2-hydroxy-N-phenylbenzamide chloride
CID 19021936
N-(3-acetylphenyl)-4-piperazin-1-ylbenzamide
CID 174533104
ethane;2-hydroxy-N-phenylbenzamide
CID 54170056
2-chloro-5-piperazin-1-ylbenzoic acid
CID 83648477
(2S)-2-amino-2-(2-hydroxy-4-piperazin-1-ylphenyl)acetic acid
CID 66512719
2-fluoro-N-methyl-4-piperazin-1-ylbenzamide
CID 133083293
N-(3-cyanophenyl)-3-piperazin-1-ylbenzamide
CID 28749044
1-[2-hydroxy-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]ethanone
CID 79590190
2-methoxy-4-piperazin-1-ylbenzoic acid
CID 84699390

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-phenyl-4-piperazin-1-ylbenzamide?
The IUPAC name of 2-hydroxy-N-phenyl-4-piperazin-1-ylbenzamide (CID 126622011) is 2-hydroxy-N-phenyl-4-piperazin-1-ylbenzamide.
What is the SMILES notation for 2-hydroxy-N-phenyl-4-piperazin-1-ylbenzamide?
The canonical SMILES for 2-hydroxy-N-phenyl-4-piperazin-1-ylbenzamide is O=C(Nc1ccccc1)c1ccc(N2CCNCC2)cc1O.
What is the InChIKey of 2-hydroxy-N-phenyl-4-piperazin-1-ylbenzamide?
The InChIKey is QKDITCGHGWRJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-16-12-14(20-10-8-18-9-11-20)6-7-15(16)17(22)19-13-4-2-1-3-5-13/h1-7,12,18,21H,8-11H2,(H,19,22).
What are the key properties of 2-hydroxy-N-phenyl-4-piperazin-1-ylbenzamide?
2-hydroxy-N-phenyl-4-piperazin-1-ylbenzamide has a molecular weight of 297.36 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-phenyl-4-piperazin-1-ylbenzamide is sourced from PubChem (CID 126622011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).