N-(2-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide

C13H17N3O2 — CID 8962959

IUPACN-(2-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide
SMILESCc1ccccc1NC(=O)CN1CCNC(=O)C1
InChIInChI=1S/C13H17N3O2/c1-10-4-2-3-5-11(10)15-13(18)9-16-7-6-14-12(17)8-16/h2-5H,6-9H2,1H3,(H,14,17)(H,15,18)
InChIKeyOHNQHOXJXMZKAG-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.37
Rot. Bonds3

About N-(2-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide

N-(2-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide (PubChem CID 8962959) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide
PubChem CID8962959
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-(2-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide
SMILESCc1ccccc1NC(=O)CN1CCNC(=O)C1
InChIInChI=1S/C13H17N3O2/c1-10-4-2-3-5-11(10)15-13(18)9-16-7-6-14-12(17)8-16/h2-5H,6-9H2,1H3,(H,14,17)(H,15,18)
InChIKeyOHNQHOXJXMZKAG-UHFFFAOYSA-N
XLogP0.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide
CID 142082017
2-(3-oxopiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 2656984
N-(2-methylphenyl)-2-(4-oxopiperidin-1-yl)acetamide
CID 24693967
N-(4-amino-2-methylphenyl)-2-(3-oxo-1,4-diazepan-1-yl)acetamide
CID 65361414
2-(3-oxopiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 2656976
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
N-(4-aminophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 16778608
2-(3-oxopiperazin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 8963123
N-(2-chloro-4-fluorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 8962997
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 8962484

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-(2-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide (CID 8962959) is N-(2-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide is Cc1ccccc1NC(=O)CN1CCNC(=O)C1.
What is the InChIKey of N-(2-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide?
The InChIKey is OHNQHOXJXMZKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-10-4-2-3-5-11(10)15-13(18)9-16-7-6-14-12(17)8-16/h2-5H,6-9H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-(2-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide?
N-(2-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide has a molecular weight of 247.30 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 8962959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).