4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride

C20H24ClN3O2 — CID 120740508

IUPAC4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)c2ccc(C(N)=O)cc2)cc1.Cl
InChIInChI=1S/C20H23N3O2.ClH/c1-2-14-3-5-15(6-4-14)18-13-22-11-12-23(18)20(25)17-9-7-16(8-10-17)19(21)24;/h3-10,18,22H,2,11-13H2,1H3,(H2,21,24);1H
InChIKeyKESICTOTJDRKBW-UHFFFAOYSA-N
MW373.88 g/mol
LogP2.56
Rot. Bonds4

About 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride

4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride (PubChem CID 120740508) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
PubChem CID120740508
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)c2ccc(C(N)=O)cc2)cc1.Cl
InChIInChI=1S/C20H23N3O2.ClH/c1-2-14-3-5-15(6-4-14)18-13-22-11-12-23(18)20(25)17-9-7-16(8-10-17)19(21)24;/h3-10,18,22H,2,11-13H2,1H3,(H2,21,24);1H
InChIKeyKESICTOTJDRKBW-UHFFFAOYSA-N
XLogP2.56
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride
CID 120758148
5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophene-3-carboxamide;hydrochloride
CID 120740428
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide;hydrochloride
CID 120740299
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120740518
[2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120741506
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 120740519
5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylpyridine-2-carboxamide;hydrochloride
CID 120741592
[2-(4-ethylphenyl)piperazin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 120741073
[2-(4-ethylphenyl)piperazin-1-yl]-[4-(oxan-4-yloxy)phenyl]methanone
CID 120740228
[2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 120740889
[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 120740222
(4-ethylphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705638

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride?
The IUPAC name of 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride (CID 120740508) is 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride.
What is the SMILES notation for 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride?
The canonical SMILES for 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride is CCc1ccc(C2CNCCN2C(=O)c2ccc(C(N)=O)cc2)cc1.Cl.
What is the InChIKey of 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride?
The InChIKey is KESICTOTJDRKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.ClH/c1-2-14-3-5-15(6-4-14)18-13-22-11-12-23(18)20(25)17-9-7-16(8-10-17)19(21)24;/h3-10,18,22H,2,11-13H2,1H3,(H2,21,24);1H.
What are the key properties of 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride?
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride has a molecular weight of 373.88 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride is sourced from PubChem (CID 120740508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).