N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide

C14H18BrN3O2 — CID 8962709

IUPACN-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESC[C@@H](NC(=O)CN1CCNC(=O)C1)c1ccccc1Br
InChIInChI=1S/C14H18BrN3O2/c1-10(11-4-2-3-5-12(11)15)17-14(20)9-18-7-6-16-13(19)8-18/h2-5,10H,6-9H2,1H3,(H,16,19)(H,17,20)/t10-/m1/s1
InChIKeyBDGMNGIMBYWBAU-SNVBAGLBSA-N
MW340.22 g/mol
LogP1.06
Rot. Bonds4

About N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide

N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide (PubChem CID 8962709) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
PubChem CID8962709
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC NameN-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESC[C@@H](NC(=O)CN1CCNC(=O)C1)c1ccccc1Br
InChIInChI=1S/C14H18BrN3O2/c1-10(11-4-2-3-5-12(11)15)17-14(20)9-18-7-6-16-13(19)8-18/h2-5,10H,6-9H2,1H3,(H,16,19)(H,17,20)/t10-/m1/s1
InChIKeyBDGMNGIMBYWBAU-SNVBAGLBSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-oxopiperazin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 8963123
2-(3-oxopiperazin-1-yl)-N-propan-2-ylacetamide
CID 162152546
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 8549120
N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 8725812
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7756670
N-[(1S)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 97133649
N-(2-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 8962959
2-(3-oxopiperazin-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8549245
N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperazin-1-ylacetamide
CID 81376325
2-piperazin-1-yl-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407274
N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516
2-[4,7-bis[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 11285246

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide (CID 8962709) is N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide is C[C@@H](NC(=O)CN1CCNC(=O)C1)c1ccccc1Br.
What is the InChIKey of N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide?
The InChIKey is BDGMNGIMBYWBAU-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-10(11-4-2-3-5-12(11)15)17-14(20)9-18-7-6-16-13(19)8-18/h2-5,10H,6-9H2,1H3,(H,16,19)(H,17,20)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide?
N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide has a molecular weight of 340.22 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 8962709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).