2-(4-formylpiperazin-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide

C14H17N3O4 — CID 108502665

IUPAC2-(4-formylpiperazin-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
SMILESCOc1ccc(NC(=O)C(=O)N2CCN(C=O)CC2)cc1
InChIInChI=1S/C14H17N3O4/c1-21-12-4-2-11(3-5-12)15-13(19)14(20)17-8-6-16(10-18)7-9-17/h2-5,10H,6-9H2,1H3,(H,15,19)
InChIKeyICSDKAUFYFSQEY-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.07
Rot. Bonds3

About 2-(4-formylpiperazin-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide

2-(4-formylpiperazin-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide (PubChem CID 108502665) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-(4-formylpiperazin-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-formylpiperazin-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
PubChem CID108502665
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-(4-formylpiperazin-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
SMILESCOc1ccc(NC(=O)C(=O)N2CCN(C=O)CC2)cc1
InChIInChI=1S/C14H17N3O4/c1-21-12-4-2-11(3-5-12)15-13(19)14(20)17-8-6-16(10-18)7-9-17/h2-5,10H,6-9H2,1H3,(H,15,19)
InChIKeyICSDKAUFYFSQEY-UHFFFAOYSA-N
XLogP-0.07
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide
CID 108523927
3-(4-formylpiperazin-1-yl)-N-(4-methoxyphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108961116
1-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 108974349
4-[2-(4-methoxyanilino)acetyl]piperazine-1-carbaldehyde
CID 108995990
N-(4-ethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902445
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 108502696
2-(4-formylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide
CID 108515716
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 44901895
4-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109084711
N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 44892200
4-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperazine-1-carbaldehyde
CID 925146
N-(4-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 5177300

Frequently Asked Questions

What is the IUPAC name of 2-(4-formylpiperazin-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide?
The IUPAC name of 2-(4-formylpiperazin-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide (CID 108502665) is 2-(4-formylpiperazin-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(4-formylpiperazin-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(4-formylpiperazin-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide is COc1ccc(NC(=O)C(=O)N2CCN(C=O)CC2)cc1.
What is the InChIKey of 2-(4-formylpiperazin-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide?
The InChIKey is ICSDKAUFYFSQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-21-12-4-2-11(3-5-12)15-13(19)14(20)17-8-6-16(10-18)7-9-17/h2-5,10H,6-9H2,1H3,(H,15,19).
What are the key properties of 2-(4-formylpiperazin-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide?
2-(4-formylpiperazin-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide has a molecular weight of 291.31 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylpiperazin-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide is sourced from PubChem (CID 108502665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).