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

C13H18ClN3O2 — CID 110283164

IUPAC2-(4-benzyl-3-oxopiperazin-2-yl)acetamide;hydrochloride
SMILESCl.NC(=O)CC1NCCN(Cc2ccccc2)C1=O
InChIInChI=1S/C13H17N3O2.ClH/c14-12(17)8-11-13(18)16(7-6-15-11)9-10-4-2-1-3-5-10;/h1-5,11,15H,6-9H2,(H2,14,17);1H
InChIKeyNDJTXPKBQYRJHA-UHFFFAOYSA-N
MW283.76 g/mol
LogP0.28
Rot. Bonds4

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

2-(4-benzyl-3-oxopiperazin-2-yl)acetamide;hydrochloride (PubChem CID 110283164) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-(4-benzyl-3-oxopiperazin-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-benzyl-3-oxopiperazin-2-yl)acetamide;hydrochloride
PubChem CID110283164
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name2-(4-benzyl-3-oxopiperazin-2-yl)acetamide;hydrochloride
SMILESCl.NC(=O)CC1NCCN(Cc2ccccc2)C1=O
InChIInChI=1S/C13H17N3O2.ClH/c14-12(17)8-11-13(18)16(7-6-15-11)9-10-4-2-1-3-5-10;/h1-5,11,15H,6-9H2,(H2,14,17);1H
InChIKeyNDJTXPKBQYRJHA-UHFFFAOYSA-N
XLogP0.28
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide;hydrochloride
CID 110283945
2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-diethylacetamide;hydrochloride
CID 110283124
3-[2-(azepan-1-yl)-2-oxoethyl]-1-benzylpiperazin-2-one
CID 110283147
2-(4-benzyl-3-oxopiperazin-2-yl)-N-cyclopropylacetamide
CID 110283187
2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-dipropylacetamide;hydrochloride
CID 110283148
1-benzyl-3-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-2-one
CID 102002003
(3S)-1-benzyl-3-ethylpiperazin-2-one
CID 45095306
2-(4-benzyl-3-oxopiperazin-2-yl)-N-cyclohexylacetamide;hydrochloride
CID 110283193
2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-dipropylacetamide
CID 110283149
1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride
CID 110283156
2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-N-(4-chlorophenyl)acetamide
CID 7188924
2-[(3S)-2-oxo-3-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]acetic acid;hydrochloride
CID 70046324

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-3-oxopiperazin-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-(4-benzyl-3-oxopiperazin-2-yl)acetamide;hydrochloride (CID 110283164) is 2-(4-benzyl-3-oxopiperazin-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-benzyl-3-oxopiperazin-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-benzyl-3-oxopiperazin-2-yl)acetamide;hydrochloride is Cl.NC(=O)CC1NCCN(Cc2ccccc2)C1=O.
What is the InChIKey of 2-(4-benzyl-3-oxopiperazin-2-yl)acetamide;hydrochloride?
The InChIKey is NDJTXPKBQYRJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2.ClH/c14-12(17)8-11-13(18)16(7-6-15-11)9-10-4-2-1-3-5-10;/h1-5,11,15H,6-9H2,(H2,14,17);1H.
What are the key properties of 2-(4-benzyl-3-oxopiperazin-2-yl)acetamide;hydrochloride?
2-(4-benzyl-3-oxopiperazin-2-yl)acetamide;hydrochloride has a molecular weight of 283.76 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-3-oxopiperazin-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 110283164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).