N-(3-bromophenyl)-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide

C14H18BrN3O2 — CID 63602299

IUPACN-(3-bromophenyl)-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide
SMILESCC1(C)NCCN(CC(=O)Nc2cccc(Br)c2)C1=O
InChIInChI=1S/C14H18BrN3O2/c1-14(2)13(20)18(7-6-16-14)9-12(19)17-11-5-3-4-10(15)8-11/h3-5,8,16H,6-7,9H2,1-2H3,(H,17,19)
InChIKeyUQLALRREOVCVGB-UHFFFAOYSA-N
MW340.22 g/mol
LogP1.60
Rot. Bonds3

About N-(3-bromophenyl)-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide

N-(3-bromophenyl)-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide (PubChem CID 63602299) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide
PubChem CID63602299
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC NameN-(3-bromophenyl)-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide
SMILESCC1(C)NCCN(CC(=O)Nc2cccc(Br)c2)C1=O
InChIInChI=1S/C14H18BrN3O2/c1-14(2)13(20)18(7-6-16-14)9-12(19)17-11-5-3-4-10(15)8-11/h3-5,8,16H,6-7,9H2,1-2H3,(H,17,19)
InChIKeyUQLALRREOVCVGB-UHFFFAOYSA-N
XLogP1.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 8871207
N-(3-bromophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2708881
1-[2-(3-bromoanilino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid
CID 63124915
N-(3-bromophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 19241341
2-(azepan-1-yl)-N-(3-bromophenyl)acetamide
CID 2958639
N-(3-bromophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086174
N-(3-bromophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 8014767
N-(3-acetylphenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2547789
N-(3-bromophenyl)-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 60697679
N-(3-bromophenyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39058739
N-(3-bromophenyl)-3-[(2S)-2-methyl-3-oxopiperazin-1-yl]propanamide
CID 95773132
N-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681799

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide (CID 63602299) is N-(3-bromophenyl)-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide is CC1(C)NCCN(CC(=O)Nc2cccc(Br)c2)C1=O.
What is the InChIKey of N-(3-bromophenyl)-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide?
The InChIKey is UQLALRREOVCVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-14(2)13(20)18(7-6-16-14)9-12(19)17-11-5-3-4-10(15)8-11/h3-5,8,16H,6-7,9H2,1-2H3,(H,17,19).
What are the key properties of N-(3-bromophenyl)-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide?
N-(3-bromophenyl)-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide has a molecular weight of 340.22 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 63602299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).