2-[4-[(3-bromophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide

C14H18BrN3O2 — CID 110283654

IUPAC2-[4-[(3-bromophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
SMILESCNC(=O)CC1NCCN(Cc2cccc(Br)c2)C1=O
InChIInChI=1S/C14H18BrN3O2/c1-16-13(19)8-12-14(20)18(6-5-17-12)9-10-3-2-4-11(15)7-10/h2-4,7,12,17H,5-6,8-9H2,1H3,(H,16,19)
InChIKeyCLFFKQUUZQHUDG-UHFFFAOYSA-N
MW340.22 g/mol
LogP0.89
Rot. Bonds4

About 2-[4-[(3-bromophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide

2-[4-[(3-bromophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide (PubChem CID 110283654) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 2-[4-[(3-bromophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(3-bromophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
PubChem CID110283654
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name2-[4-[(3-bromophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
SMILESCNC(=O)CC1NCCN(Cc2cccc(Br)c2)C1=O
InChIInChI=1S/C14H18BrN3O2/c1-16-13(19)8-12-14(20)18(6-5-17-12)9-10-3-2-4-11(15)7-10/h2-4,7,12,17H,5-6,8-9H2,1H3,(H,16,19)
InChIKeyCLFFKQUUZQHUDG-UHFFFAOYSA-N
XLogP0.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-bromophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide;hydrochloride
CID 110283661
3-[2-(azepan-1-yl)-2-oxoethyl]-1-[(3-bromophenyl)methyl]piperazin-2-one;hydrochloride
CID 110283633
2-(4-benzyl-3-oxopiperazin-2-yl)-N-cyclopropylacetamide
CID 110283187
1-[(3-bromophenyl)methyl]-3-methyl-1,4-diazepan-2-one
CID 55169367
2-(4-benzyl-3-oxopiperazin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 110283183
2-(4-benzyl-3-oxopiperazin-2-yl)-N-cyclohexylacetamide;hydrochloride
CID 110283193
2-(4-benzyl-3-oxopiperazin-2-yl)acetamide;hydrochloride
CID 110283164
2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-methoxyphenyl)acetamide;hydrochloride
CID 110283203
2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 110283976
3-[2-(azepan-1-yl)-2-oxoethyl]-1-benzylpiperazin-2-one
CID 110283147
(3S)-1-benzyl-3-ethylpiperazin-2-one
CID 45095306
2-[1-benzyl-4-[(3-bromophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 110284156

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-bromophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[(3-bromophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide (CID 110283654) is 2-[4-[(3-bromophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(3-bromophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(3-bromophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide is CNC(=O)CC1NCCN(Cc2cccc(Br)c2)C1=O.
What is the InChIKey of 2-[4-[(3-bromophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide?
The InChIKey is CLFFKQUUZQHUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-16-13(19)8-12-14(20)18(6-5-17-12)9-10-3-2-4-11(15)7-10/h2-4,7,12,17H,5-6,8-9H2,1H3,(H,16,19).
What are the key properties of 2-[4-[(3-bromophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide?
2-[4-[(3-bromophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide has a molecular weight of 340.22 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-bromophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide is sourced from PubChem (CID 110283654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).