2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide

C23H26N4O4 — CID 94846489

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide
SMILESC=CCOc1ccc(/C=N\NC(=O)C(=O)N2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C23H26N4O4/c1-3-16-31-19-10-8-18(9-11-19)17-24-25-22(28)23(29)27-14-12-26(13-15-27)20-6-4-5-7-21(20)30-2/h3-11,17H,1,12-16H2,2H3,(H,25,28)/b24-17-
InChIKeyHBKSRIUWVNWYAS-ULJHMMPZSA-N
MW422.49 g/mol
LogP2.06
Rot. Bonds7

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide

2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide (PubChem CID 94846489) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide
PubChem CID94846489
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide
SMILESC=CCOc1ccc(/C=N\NC(=O)C(=O)N2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C23H26N4O4/c1-3-16-31-19-10-8-18(9-11-19)17-24-25-22(28)23(29)27-14-12-26(13-15-27)20-6-4-5-7-21(20)30-2/h3-11,17H,1,12-16H2,2H3,(H,25,28)/b24-17-
InChIKeyHBKSRIUWVNWYAS-ULJHMMPZSA-N
XLogP2.06
TPSA83.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-oxoacetamide
CID 27018155
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4594277
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 6248065
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 136844914
N-[(4-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 3102338
3,4,5-trimethoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6076839
2-[(Z)-(4-methoxyphenyl)methylideneamino]oxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 9334137
N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 94837449
N-[(Z)-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 98091140
N-[(Z)-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 6029525
N-[(Z)-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 98091144
N-(3-chloropropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108513767

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide (CID 94846489) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide is C=CCOc1ccc(/C=N\NC(=O)C(=O)N2CCN(c3ccccc3OC)CC2)cc1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide?
The InChIKey is HBKSRIUWVNWYAS-ULJHMMPZSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-3-16-31-19-10-8-18(9-11-19)17-24-25-22(28)23(29)27-14-12-26(13-15-27)20-6-4-5-7-21(20)30-2/h3-11,17H,1,12-16H2,2H3,(H,25,28)/b24-17-.
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide has a molecular weight of 422.49 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 94846489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).