2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide

C27H28N4O4 — CID 4594277

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccccc1N1CCN(C(=O)C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C27H28N4O4/c1-34-25-10-6-5-9-24(25)30-15-17-31(18-16-30)27(33)26(32)29-28-19-21-11-13-23(14-12-21)35-20-22-7-3-2-4-8-22/h2-14,19H,15-18,20H2,1H3,(H,29,32)
InChIKeyCCCIACWZYFTZNZ-UHFFFAOYSA-N
MW472.55 g/mol
LogP3.07
Rot. Bonds7

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

2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide (PubChem CID 4594277) has the molecular formula C27H28N4O4 and a molecular weight of 472.55 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
PubChem CID4594277
Molecular FormulaC27H28N4O4
Molecular Weight472.55 g/mol
Exact Mass472.21
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccccc1N1CCN(C(=O)C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C27H28N4O4/c1-34-25-10-6-5-9-24(25)30-15-17-31(18-16-30)27(33)26(32)29-28-19-21-11-13-23(14-12-21)35-20-22-7-3-2-4-8-22/h2-14,19H,15-18,20H2,1H3,(H,29,32)
InChIKeyCCCIACWZYFTZNZ-UHFFFAOYSA-N
XLogP3.07
TPSA83.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.07
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 94846489
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 6248065
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone
CID 4637289
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-oxoacetamide
CID 27018155
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 136844914
4-(2-methoxyphenyl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 24825192
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 2994482
2-methoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6068795
3,4-dimethoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6305371
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913
N-(2,5-dimethoxyphenyl)-N'-[(E)-(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 5335817
N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 2692945

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide (CID 4594277) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide is COc1ccccc1N1CCN(C(=O)C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide?
The InChIKey is CCCIACWZYFTZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4/c1-34-25-10-6-5-9-24(25)30-15-17-31(18-16-30)27(33)26(32)29-28-19-21-11-13-23(14-12-21)35-20-22-7-3-2-4-8-22/h2-14,19H,15-18,20H2,1H3,(H,29,32).
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide has a molecular weight of 472.55 g/mol, XLogP of 3.07, 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-[(4-phenylmethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 4594277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).