N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-[(4-methoxyphenyl)methyl]acetamide

C18H25N3O4 — CID 113119882

IUPACN-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(CCC(=O)N2CCN(C=O)CC2)C(C)=O)cc1
InChIInChI=1S/C18H25N3O4/c1-15(23)21(13-16-3-5-17(25-2)6-4-16)8-7-18(24)20-11-9-19(14-22)10-12-20/h3-6,14H,7-13H2,1-2H3
InChIKeyFMDOGTNZLKQCQE-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.73
Rot. Bonds7

About N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-[(4-methoxyphenyl)methyl]acetamide

N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 113119882) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID113119882
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC NameN-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(CCC(=O)N2CCN(C=O)CC2)C(C)=O)cc1
InChIInChI=1S/C18H25N3O4/c1-15(23)21(13-16-3-5-17(25-2)6-4-16)8-7-18(24)20-11-9-19(14-22)10-12-20/h3-6,14H,7-13H2,1-2H3
InChIKeyFMDOGTNZLKQCQE-UHFFFAOYSA-N
XLogP0.73
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113118231
N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide
CID 119400405
N-[(4-methoxyphenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113163030
N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylbutyl)acetamide
CID 113122823
N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113118190
3-[benzyl(methyl)amino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109020605
3-(4-formylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-3-oxopropanamide
CID 108944698
4-[2-(4-methoxyanilino)acetyl]piperazine-1-carbaldehyde
CID 108995990
N-[(4-methoxyphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113139616
N-benzyl-N-[3-(1,4-diazepan-1-yl)-3-oxopropyl]acetamide
CID 119414492
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butylpropanamide
CID 113119864
N-[(4-chlorophenyl)methyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113119565

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-[(4-methoxyphenyl)methyl]acetamide (CID 113119882) is N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CN(CCC(=O)N2CCN(C=O)CC2)C(C)=O)cc1.
What is the InChIKey of N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is FMDOGTNZLKQCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-15(23)21(13-16-3-5-17(25-2)6-4-16)8-7-18(24)20-11-9-19(14-22)10-12-20/h3-6,14H,7-13H2,1-2H3.
What are the key properties of N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-[(4-methoxyphenyl)methyl]acetamide?
N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 0.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 113119882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).