2-(4-benzyl-3-oxopiperazin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide

C17H26N4O2 — CID 110283183

IUPAC2-(4-benzyl-3-oxopiperazin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)CC1NCCN(Cc2ccccc2)C1=O
InChIInChI=1S/C17H26N4O2/c1-20(2)10-8-19-16(22)12-15-17(23)21(11-9-18-15)13-14-6-4-3-5-7-14/h3-7,15,18H,8-13H2,1-2H3,(H,19,22)
InChIKeyRTGVAIYGLCLKSJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.05
Rot. Bonds7

About 2-(4-benzyl-3-oxopiperazin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide

2-(4-benzyl-3-oxopiperazin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 110283183) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(4-benzyl-3-oxopiperazin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-benzyl-3-oxopiperazin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID110283183
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-(4-benzyl-3-oxopiperazin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)CC1NCCN(Cc2ccccc2)C1=O
InChIInChI=1S/C17H26N4O2/c1-20(2)10-8-19-16(22)12-15-17(23)21(11-9-18-15)13-14-6-4-3-5-7-14/h3-7,15,18H,8-13H2,1-2H3,(H,19,22)
InChIKeyRTGVAIYGLCLKSJ-UHFFFAOYSA-N
XLogP0.05
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzyl-3-oxopiperazin-2-yl)-N-cyclopropylacetamide
CID 110283187
N-[2-(dimethylamino)ethyl]-2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetamide;hydrochloride
CID 110282990
2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-dipropylacetamide
CID 110283149
2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-dipropylacetamide;hydrochloride
CID 110283148
2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-N-(4-chlorophenyl)acetamide
CID 7188924
2-(4-benzyl-3-oxopiperazin-2-yl)acetamide;hydrochloride
CID 110283164
2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-diethylacetamide;hydrochloride
CID 110283124
2-(4-benzyl-3-oxopiperazin-2-yl)-N-cyclohexylacetamide;hydrochloride
CID 110283193
3-[2-(azepan-1-yl)-2-oxoethyl]-1-benzylpiperazin-2-one
CID 110283147
2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride
CID 110283855
2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-methoxyphenyl)acetamide;hydrochloride
CID 110283203
2-[4-[(3-bromophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide;hydrochloride
CID 110283661

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-3-oxopiperazin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-(4-benzyl-3-oxopiperazin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide (CID 110283183) is 2-(4-benzyl-3-oxopiperazin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(4-benzyl-3-oxopiperazin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-(4-benzyl-3-oxopiperazin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide is CN(C)CCNC(=O)CC1NCCN(Cc2ccccc2)C1=O.
What is the InChIKey of 2-(4-benzyl-3-oxopiperazin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is RTGVAIYGLCLKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-20(2)10-8-19-16(22)12-15-17(23)21(11-9-18-15)13-14-6-4-3-5-7-14/h3-7,15,18H,8-13H2,1-2H3,(H,19,22).
What are the key properties of 2-(4-benzyl-3-oxopiperazin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide?
2-(4-benzyl-3-oxopiperazin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 318.42 g/mol, XLogP of 0.05, 7 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-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 110283183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).