4-(2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylbenzamide

C18H21N3O2 — CID 23433367

IUPAC4-(2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylbenzamide
SMILESCc1c(C(N)=O)ccc(-c2ccccc2O)c1N1CCNCC1
InChIInChI=1S/C18H21N3O2/c1-12-13(18(19)23)6-7-15(14-4-2-3-5-16(14)22)17(12)21-10-8-20-9-11-21/h2-7,20,22H,8-11H2,1H3,(H2,19,23)
InChIKeyZHUZJARVKCDCPT-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.88
Rot. Bonds3

About 4-(2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylbenzamide

4-(2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylbenzamide (PubChem CID 23433367) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylbenzamide.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylbenzamide
PubChem CID23433367
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name4-(2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylbenzamide
SMILESCc1c(C(N)=O)ccc(-c2ccccc2O)c1N1CCNCC1
InChIInChI=1S/C18H21N3O2/c1-12-13(18(19)23)6-7-15(14-4-2-3-5-16(14)22)17(12)21-10-8-20-9-11-21/h2-7,20,22H,8-11H2,1H3,(H2,19,23)
InChIKeyZHUZJARVKCDCPT-UHFFFAOYSA-N
XLogP1.88
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylbenzamide?
The IUPAC name of 4-(2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylbenzamide (CID 23433367) is 4-(2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylbenzamide.
What is the SMILES notation for 4-(2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylbenzamide?
The canonical SMILES for 4-(2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylbenzamide is Cc1c(C(N)=O)ccc(-c2ccccc2O)c1N1CCNCC1.
What is the InChIKey of 4-(2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylbenzamide?
The InChIKey is ZHUZJARVKCDCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-13(18(19)23)6-7-15(14-4-2-3-5-16(14)22)17(12)21-10-8-20-9-11-21/h2-7,20,22H,8-11H2,1H3,(H2,19,23).
What are the key properties of 4-(2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylbenzamide?
4-(2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylbenzamide has a molecular weight of 311.38 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylbenzamide is sourced from PubChem (CID 23433367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).