2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide

C14H17N3O4 — CID 68776678

IUPAC2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide
SMILESCOc1ccccc1C(=O)N1CCN(C(=O)C(N)=O)CC1
InChIInChI=1S/C14H17N3O4/c1-21-11-5-3-2-4-10(11)13(19)16-6-8-17(9-7-16)14(20)12(15)18/h2-5H,6-9H2,1H3,(H2,15,18)
InChIKeyHTJYBOHUZDFULY-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.54
Rot. Bonds2

About 2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide

2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 68776678) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID68776678
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide
SMILESCOc1ccccc1C(=O)N1CCN(C(=O)C(N)=O)CC1
InChIInChI=1S/C14H17N3O4/c1-21-11-5-3-2-4-10(11)13(19)16-6-8-17(9-7-16)14(20)12(15)18/h2-5H,6-9H2,1H3,(H2,15,18)
InChIKeyHTJYBOHUZDFULY-UHFFFAOYSA-N
XLogP-0.54
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanethioamide
CID 63336323
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937
2,2-dichloro-1-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 108567688
(1,1-dioxo-1,4-thiazinan-4-yl)-(2-methoxyphenyl)methanone
CID 110721382
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
(4-chlorophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 46555244
[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 1148027
(2-methoxyphenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1072088
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 63340998
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110798465

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide (CID 68776678) is 2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide is COc1ccccc1C(=O)N1CCN(C(=O)C(N)=O)CC1.
What is the InChIKey of 2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is HTJYBOHUZDFULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-21-11-5-3-2-4-10(11)13(19)16-6-8-17(9-7-16)14(20)12(15)18/h2-5H,6-9H2,1H3,(H2,15,18).
What are the key properties of 2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide?
2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 291.31 g/mol, XLogP of -0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 68776678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).