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

C22H28ClN3O2 — CID 120740327

IUPACN-[1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)C(C)NC(=O)c2ccccc2)cc1.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-3-17-9-11-18(12-10-17)20-15-23-13-14-25(20)22(27)16(2)24-21(26)19-7-5-4-6-8-19;/h4-12,16,20,23H,3,13-15H2,1-2H3,(H,24,26);1H
InChIKeyOYXGTMBJPGBROC-UHFFFAOYSA-N
MW401.94 g/mol
LogP2.96
Rot. Bonds5

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

N-[1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride (PubChem CID 120740327) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is N-[1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride
PubChem CID120740327
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC NameN-[1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)C(C)NC(=O)c2ccccc2)cc1.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-3-17-9-11-18(12-10-17)20-15-23-13-14-25(20)22(27)16(2)24-21(26)19-7-5-4-6-8-19;/h4-12,16,20,23H,3,13-15H2,1-2H3,(H,24,26);1H
InChIKeyOYXGTMBJPGBROC-UHFFFAOYSA-N
XLogP2.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 120741416
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone;hydrochloride
CID 120741482
N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 120740529
1-[2-(4-ethylphenyl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one
CID 120739982
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031
2-ethyl-1-(2-phenylpiperazin-1-yl)butan-1-one
CID 82246038
1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride
CID 120741414
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
CID 120740374
[1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxohexan-2-yl]urea
CID 120741607
N-[4-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride
CID 120741686
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120740508

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride?
The IUPAC name of N-[1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride (CID 120740327) is N-[1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride.
What is the SMILES notation for N-[1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride?
The canonical SMILES for N-[1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride is CCc1ccc(C2CNCCN2C(=O)C(C)NC(=O)c2ccccc2)cc1.Cl.
What is the InChIKey of N-[1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride?
The InChIKey is OYXGTMBJPGBROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2.ClH/c1-3-17-9-11-18(12-10-17)20-15-23-13-14-25(20)22(27)16(2)24-21(26)19-7-5-4-6-8-19;/h4-12,16,20,23H,3,13-15H2,1-2H3,(H,24,26);1H.
What are the key properties of N-[1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride?
N-[1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride has a molecular weight of 401.94 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 120740327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).