2-hydroxy-5-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide

C20H25N3O2 — CID 46602004

IUPAC2-hydroxy-5-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
SMILESCc1ccc(O)c(C(=O)NCCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C20H25N3O2/c1-16-7-8-19(24)18(15-16)20(25)21-9-10-22-11-13-23(14-12-22)17-5-3-2-4-6-17/h2-8,15,24H,9-14H2,1H3,(H,21,25)
InChIKeyGQUIZPWJINJPNR-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.25
Rot. Bonds5

About 2-hydroxy-5-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide

2-hydroxy-5-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide (PubChem CID 46602004) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
PubChem CID46602004
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-hydroxy-5-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
SMILESCc1ccc(O)c(C(=O)NCCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C20H25N3O2/c1-16-7-8-19(24)18(15-16)20(25)21-9-10-22-11-13-23(14-12-22)17-5-3-2-4-6-17/h2-8,15,24H,9-14H2,1H3,(H,21,25)
InChIKeyGQUIZPWJINJPNR-UHFFFAOYSA-N
XLogP2.25
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224502
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244
2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 747202
2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-3-carboxamide
CID 30899733
2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 86981700
1-benzyl-2,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrole-3-carboxamide
CID 55602871
5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38756062
N'-[(4-methylphenyl)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 42268265
2,5-dimethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]furan-3-carboxamide
CID 30900411
3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55860989
2,4-dichloro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885246
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-hydroxy-5-methylbenzamide
CID 17403854

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 2-hydroxy-5-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide (CID 46602004) is 2-hydroxy-5-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-hydroxy-5-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 2-hydroxy-5-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide is Cc1ccc(O)c(C(=O)NCCN2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 2-hydroxy-5-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is GQUIZPWJINJPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-16-7-8-19(24)18(15-16)20(25)21-9-10-22-11-13-23(14-12-22)17-5-3-2-4-6-17/h2-8,15,24H,9-14H2,1H3,(H,21,25).
What are the key properties of 2-hydroxy-5-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide?
2-hydroxy-5-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 46602004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).