4-[2-(5-chloro-2-methoxyanilino)acetyl]piperazin-2-one

C13H16ClN3O3 — CID 32895414

IUPAC4-[2-(5-chloro-2-methoxyanilino)acetyl]piperazin-2-one
SMILESCOc1ccc(Cl)cc1NCC(=O)N1CCNC(=O)C1
InChIInChI=1S/C13H16ClN3O3/c1-20-11-3-2-9(14)6-10(11)16-7-13(19)17-5-4-15-12(18)8-17/h2-3,6,16H,4-5,7-8H2,1H3,(H,15,18)
InChIKeyDTDFGRXYLFOUGD-UHFFFAOYSA-N
MW297.74 g/mol
LogP0.72
Rot. Bonds4

About 4-[2-(5-chloro-2-methoxyanilino)acetyl]piperazin-2-one

4-[2-(5-chloro-2-methoxyanilino)acetyl]piperazin-2-one (PubChem CID 32895414) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is 4-[2-(5-chloro-2-methoxyanilino)acetyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(5-chloro-2-methoxyanilino)acetyl]piperazin-2-one
PubChem CID32895414
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Name4-[2-(5-chloro-2-methoxyanilino)acetyl]piperazin-2-one
SMILESCOc1ccc(Cl)cc1NCC(=O)N1CCNC(=O)C1
InChIInChI=1S/C13H16ClN3O3/c1-20-11-3-2-9(14)6-10(11)16-7-13(19)17-5-4-15-12(18)8-17/h2-3,6,16H,4-5,7-8H2,1H3,(H,15,18)
InChIKeyDTDFGRXYLFOUGD-UHFFFAOYSA-N
XLogP0.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]piperazin-2-one
CID 60587676
4-[2-(2-propan-2-yloxyanilino)acetyl]piperazin-2-one
CID 87029030
4-[2-(5-chloro-2-methoxyanilino)acetyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide
CID 60535261
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-chloro-2-methoxyanilino)ethanone;dihydrochloride
CID 120813930
1-(azetidin-1-yl)-3-(5-chloro-2-methoxyanilino)propan-1-one
CID 75418068
N-butan-2-yl-2-(5-chloro-2-methoxyanilino)acetamide
CID 43179785
4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-2-one
CID 8548890
2-(5-chloro-2-methoxyanilino)-N,N-dimethylacetamide
CID 28578226
3-(5-chloro-2-methoxyanilino)-2,2-dimethylpropanoic acid
CID 79630107
4-(4-chloro-2-methoxybenzoyl)-1,4-diazepan-2-one
CID 62898123
2-(2-methoxyanilino)-1-piperazin-1-ylethanone;dihydrochloride
CID 119400813
2-(5-chloro-2-methoxyanilino)-N-(2,4-dichlorophenyl)acetamide
CID 9099077

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-2-methoxyanilino)acetyl]piperazin-2-one?
The IUPAC name of 4-[2-(5-chloro-2-methoxyanilino)acetyl]piperazin-2-one (CID 32895414) is 4-[2-(5-chloro-2-methoxyanilino)acetyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(5-chloro-2-methoxyanilino)acetyl]piperazin-2-one?
The canonical SMILES for 4-[2-(5-chloro-2-methoxyanilino)acetyl]piperazin-2-one is COc1ccc(Cl)cc1NCC(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-[2-(5-chloro-2-methoxyanilino)acetyl]piperazin-2-one?
The InChIKey is DTDFGRXYLFOUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c1-20-11-3-2-9(14)6-10(11)16-7-13(19)17-5-4-15-12(18)8-17/h2-3,6,16H,4-5,7-8H2,1H3,(H,15,18).
What are the key properties of 4-[2-(5-chloro-2-methoxyanilino)acetyl]piperazin-2-one?
4-[2-(5-chloro-2-methoxyanilino)acetyl]piperazin-2-one has a molecular weight of 297.74 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-2-methoxyanilino)acetyl]piperazin-2-one is sourced from PubChem (CID 32895414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).