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

C13H16ClN3O2 — CID 2950283

IUPACN-(3-chloro-2-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CC1NCCNC1=O
InChIInChI=1S/C13H16ClN3O2/c1-8-9(14)3-2-4-10(8)17-12(18)7-11-13(19)16-6-5-15-11/h2-4,11,15H,5-7H2,1H3,(H,16,19)(H,17,18)
InChIKeyHCLQSVITHNJPCQ-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.07
Rot. Bonds3

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

N-(3-chloro-2-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide (PubChem CID 2950283) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide
PubChem CID2950283
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CC1NCCNC1=O
InChIInChI=1S/C13H16ClN3O2/c1-8-9(14)3-2-4-10(8)17-12(18)7-11-13(19)16-6-5-15-11/h2-4,11,15H,5-7H2,1H3,(H,16,19)(H,17,18)
InChIKeyHCLQSVITHNJPCQ-UHFFFAOYSA-N
XLogP1.07
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide (CID 2950283) is N-(3-chloro-2-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide is Cc1c(Cl)cccc1NC(=O)CC1NCCNC1=O.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide?
The InChIKey is HCLQSVITHNJPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-8-9(14)3-2-4-10(8)17-12(18)7-11-13(19)16-6-5-15-11/h2-4,11,15H,5-7H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide?
N-(3-chloro-2-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide has a molecular weight of 281.74 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide is sourced from PubChem (CID 2950283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).