4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride

C20H26ClN3O — CID 120758148

IUPAC4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride
SMILESCCc1ccc(C2CNCCN2Cc2ccc(C(N)=O)cc2)cc1.Cl
InChIInChI=1S/C20H25N3O.ClH/c1-2-15-3-7-17(8-4-15)19-13-22-11-12-23(19)14-16-5-9-18(10-6-16)20(21)24;/h3-10,19,22H,2,11-14H2,1H3,(H2,21,24);1H
InChIKeyNUVBXBVXXDCBEG-UHFFFAOYSA-N
MW359.90 g/mol
LogP2.92
Rot. Bonds5

About 4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride

4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride (PubChem CID 120758148) has the molecular formula C20H26ClN3O and a molecular weight of 359.90 g/mol. Its IUPAC name is 4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride
PubChem CID120758148
Molecular FormulaC20H26ClN3O
Molecular Weight359.90 g/mol
Exact Mass359.18
IUPAC Name4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride
SMILESCCc1ccc(C2CNCCN2Cc2ccc(C(N)=O)cc2)cc1.Cl
InChIInChI=1S/C20H25N3O.ClH/c1-2-15-3-7-17(8-4-15)19-13-22-11-12-23(19)14-16-5-9-18(10-6-16)20(21)24;/h3-10,19,22H,2,11-14H2,1H3,(H2,21,24);1H
InChIKeyNUVBXBVXXDCBEG-UHFFFAOYSA-N
XLogP2.92
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120740508
4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide
CID 120910369
4-[[(2R)-2-methylpiperazin-1-yl]methyl]benzamide
CID 82713644
5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophene-3-carboxamide;hydrochloride
CID 120740428
2-(4-ethylphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120769087
N-(4-acetamidophenyl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120758000
5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;hydrochloride
CID 120769011
3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole;hydrochloride
CID 120758108
2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methylpyrazine;dihydrochloride
CID 120758162
2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120769103
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 120758156
3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide;hydrochloride
CID 120910733

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride?
The IUPAC name of 4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride (CID 120758148) is 4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride.
What is the SMILES notation for 4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride?
The canonical SMILES for 4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride is CCc1ccc(C2CNCCN2Cc2ccc(C(N)=O)cc2)cc1.Cl.
What is the InChIKey of 4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride?
The InChIKey is NUVBXBVXXDCBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O.ClH/c1-2-15-3-7-17(8-4-15)19-13-22-11-12-23(19)14-16-5-9-18(10-6-16)20(21)24;/h3-10,19,22H,2,11-14H2,1H3,(H2,21,24);1H.
What are the key properties of 4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride?
4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride has a molecular weight of 359.90 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride is sourced from PubChem (CID 120758148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).