2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-methoxyphenyl)acetamide;hydrochloride

C20H24ClN3O3 — CID 110283203

IUPAC2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-methoxyphenyl)acetamide;hydrochloride
SMILESCOc1ccc(NC(=O)CC2NCCN(Cc3ccccc3)C2=O)cc1.Cl
InChIInChI=1S/C20H23N3O3.ClH/c1-26-17-9-7-16(8-10-17)22-19(24)13-18-20(25)23(12-11-21-18)14-15-5-3-2-4-6-15;/h2-10,18,21H,11-14H2,1H3,(H,22,24);1H
InChIKeyKSWWRSDKOZRAPS-UHFFFAOYSA-N
MW389.88 g/mol
LogP2.45
Rot. Bonds6

About 2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-methoxyphenyl)acetamide;hydrochloride

2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-methoxyphenyl)acetamide;hydrochloride (PubChem CID 110283203) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is 2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-methoxyphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-methoxyphenyl)acetamide;hydrochloride
PubChem CID110283203
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-methoxyphenyl)acetamide;hydrochloride
SMILESCOc1ccc(NC(=O)CC2NCCN(Cc3ccccc3)C2=O)cc1.Cl
InChIInChI=1S/C20H23N3O3.ClH/c1-26-17-9-7-16(8-10-17)22-19(24)13-18-20(25)23(12-11-21-18)14-15-5-3-2-4-6-15;/h2-10,18,21H,11-14H2,1H3,(H,22,24);1H
InChIKeyKSWWRSDKOZRAPS-UHFFFAOYSA-N
XLogP2.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-N-(4-chlorophenyl)acetamide
CID 7188924
2-(4-benzyl-3-oxopiperazin-2-yl)-N-cyclopropylacetamide
CID 110283187
2-(4-benzyl-3-oxopiperazin-2-yl)acetamide;hydrochloride
CID 110283164
2-(4-benzyl-3-oxopiperazin-2-yl)-N-cyclohexylacetamide;hydrochloride
CID 110283193
2-(4-benzyl-3-oxopiperazin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 110283183
2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 110283482
N-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 112509722
N-(4-methoxyphenyl)-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 99871007
2-[4-(1-benzyl-2-oxoazepan-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 110268457
2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-phenylacetamide;hydrochloride
CID 110282898
(3S)-1-benzyl-3-ethylpiperazin-2-one
CID 45095306
2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-phenylacetamide
CID 110282899

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-methoxyphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-methoxyphenyl)acetamide;hydrochloride (CID 110283203) is 2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-methoxyphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-methoxyphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-methoxyphenyl)acetamide;hydrochloride is COc1ccc(NC(=O)CC2NCCN(Cc3ccccc3)C2=O)cc1.Cl.
What is the InChIKey of 2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-methoxyphenyl)acetamide;hydrochloride?
The InChIKey is KSWWRSDKOZRAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3.ClH/c1-26-17-9-7-16(8-10-17)22-19(24)13-18-20(25)23(12-11-21-18)14-15-5-3-2-4-6-15;/h2-10,18,21H,11-14H2,1H3,(H,22,24);1H.
What are the key properties of 2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-methoxyphenyl)acetamide;hydrochloride?
2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-methoxyphenyl)acetamide;hydrochloride has a molecular weight of 389.88 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-methoxyphenyl)acetamide;hydrochloride is sourced from PubChem (CID 110283203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).