2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-diethylacetamide;hydrochloride

C17H26ClN3O2 — CID 110283124

IUPAC2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-diethylacetamide;hydrochloride
SMILESCCN(CC)C(=O)CC1NCCN(Cc2ccccc2)C1=O.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-3-19(4-2)16(21)12-15-17(22)20(11-10-18-15)13-14-8-6-5-7-9-14;/h5-9,15,18H,3-4,10-13H2,1-2H3;1H
InChIKeyWABYRSCARXGFGN-UHFFFAOYSA-N
MW339.87 g/mol
LogP1.67
Rot. Bonds6

About 2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-diethylacetamide;hydrochloride

2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-diethylacetamide;hydrochloride (PubChem CID 110283124) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-diethylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-diethylacetamide;hydrochloride
PubChem CID110283124
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-diethylacetamide;hydrochloride
SMILESCCN(CC)C(=O)CC1NCCN(Cc2ccccc2)C1=O.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-3-19(4-2)16(21)12-15-17(22)20(11-10-18-15)13-14-8-6-5-7-9-14;/h5-9,15,18H,3-4,10-13H2,1-2H3;1H
InChIKeyWABYRSCARXGFGN-UHFFFAOYSA-N
XLogP1.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-dipropylacetamide;hydrochloride
CID 110283148
2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-dipropylacetamide
CID 110283149
2-(4-benzyl-3-oxopiperazin-2-yl)acetamide;hydrochloride
CID 110283164
(3S)-1-benzyl-3-ethylpiperazin-2-one
CID 45095306
N,N-diethyl-2-(4-methyl-3-oxopiperazin-2-yl)acetamide;hydrochloride
CID 110282446
3-[2-(azepan-1-yl)-2-oxoethyl]-1-benzylpiperazin-2-one
CID 110283147
N-benzyl-2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide;hydrochloride
CID 110282667
2-(4-benzyl-3-oxopiperazin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 110283183
2-(4-benzyl-3-oxopiperazin-2-yl)-N-cyclopropylacetamide
CID 110283187
1-benzyl-3-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-2-one
CID 102002003
2-(4-benzyl-3-oxopiperazin-2-yl)-N-cyclohexylacetamide;hydrochloride
CID 110283193
1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride
CID 110283156

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-diethylacetamide;hydrochloride?
The IUPAC name of 2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-diethylacetamide;hydrochloride (CID 110283124) is 2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-diethylacetamide;hydrochloride.
What is the SMILES notation for 2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-diethylacetamide;hydrochloride?
The canonical SMILES for 2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-diethylacetamide;hydrochloride is CCN(CC)C(=O)CC1NCCN(Cc2ccccc2)C1=O.Cl.
What is the InChIKey of 2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-diethylacetamide;hydrochloride?
The InChIKey is WABYRSCARXGFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-3-19(4-2)16(21)12-15-17(22)20(11-10-18-15)13-14-8-6-5-7-9-14;/h5-9,15,18H,3-4,10-13H2,1-2H3;1H.
What are the key properties of 2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-diethylacetamide;hydrochloride?
2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-diethylacetamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-diethylacetamide;hydrochloride is sourced from PubChem (CID 110283124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).