N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-3-phenoxypropanamide

C21H25N3O4 — CID 110428691

IUPACN-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-3-phenoxypropanamide
SMILESCOc1ccc(N2CCN(C=O)CC2)cc1NC(=O)CCOc1ccccc1
InChIInChI=1S/C21H25N3O4/c1-27-20-8-7-17(24-12-10-23(16-25)11-13-24)15-19(20)22-21(26)9-14-28-18-5-3-2-4-6-18/h2-8,15-16H,9-14H2,1H3,(H,22,26)
InChIKeyAERYTASYCQJEOH-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.38
Rot. Bonds8

About N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-3-phenoxypropanamide

N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-3-phenoxypropanamide (PubChem CID 110428691) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-3-phenoxypropanamide
PubChem CID110428691
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-3-phenoxypropanamide
SMILESCOc1ccc(N2CCN(C=O)CC2)cc1NC(=O)CCOc1ccccc1
InChIInChI=1S/C21H25N3O4/c1-27-20-8-7-17(24-12-10-23(16-25)11-13-24)15-19(20)22-21(26)9-14-28-18-5-3-2-4-6-18/h2-8,15-16H,9-14H2,1H3,(H,22,26)
InChIKeyAERYTASYCQJEOH-UHFFFAOYSA-N
XLogP2.38
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(4-ethylphenyl)-N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]propanamide
CID 110604577
2-(3,4-dimethylphenoxy)-N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]acetamide
CID 110426115
N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide
CID 110604554
N-(5-tert-butyl-2-methoxyphenyl)-3-phenoxypropanamide
CID 4856932
N-(2-methoxy-5-morpholin-4-ylphenyl)pentanamide
CID 110359739
N-(2-methoxy-5-piperidin-1-ylphenyl)pentanamide
CID 110359665
N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenoxy)propanamide
CID 17034633
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenoxybutanamide
CID 4813371
1-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-3-(oxan-4-yl)urea
CID 110613966
N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2-(4-methylphenoxy)acetamide
CID 110362026
N-(4-morpholin-4-ylphenyl)-3-phenoxypropanamide
CID 26269482
4-[4-methoxy-3-(methylsulfamoylamino)phenyl]piperazine-1-carbaldehyde
CID 110613961

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-3-phenoxypropanamide?
The IUPAC name of N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-3-phenoxypropanamide (CID 110428691) is N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-3-phenoxypropanamide?
The canonical SMILES for N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-3-phenoxypropanamide is COc1ccc(N2CCN(C=O)CC2)cc1NC(=O)CCOc1ccccc1.
What is the InChIKey of N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-3-phenoxypropanamide?
The InChIKey is AERYTASYCQJEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-27-20-8-7-17(24-12-10-23(16-25)11-13-24)15-19(20)22-21(26)9-14-28-18-5-3-2-4-6-18/h2-8,15-16H,9-14H2,1H3,(H,22,26).
What are the key properties of N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-3-phenoxypropanamide?
N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-3-phenoxypropanamide has a molecular weight of 383.45 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-3-phenoxypropanamide is sourced from PubChem (CID 110428691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).