2-(4-formylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide

C17H21N3O4 — CID 109134584

IUPAC2-(4-formylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1cccc(NC(=O)C2CC2C(=O)N2CCN(C=O)CC2)c1
InChIInChI=1S/C17H21N3O4/c1-24-13-4-2-3-12(9-13)18-16(22)14-10-15(14)17(23)20-7-5-19(11-21)6-8-20/h2-4,9,11,14-15H,5-8,10H2,1H3,(H,18,22)
InChIKeyHZSYHOPCLVXASD-UHFFFAOYSA-N
MW331.37 g/mol
LogP0.57
Rot. Bonds5

About 2-(4-formylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide

2-(4-formylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 109134584) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-(4-formylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-formylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID109134584
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-(4-formylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1cccc(NC(=O)C2CC2C(=O)N2CCN(C=O)CC2)c1
InChIInChI=1S/C17H21N3O4/c1-24-13-4-2-3-12(9-13)18-16(22)14-10-15(14)17(23)20-7-5-19(11-21)6-8-20/h2-4,9,11,14-15H,5-8,10H2,1H3,(H,18,22)
InChIKeyHZSYHOPCLVXASD-UHFFFAOYSA-N
XLogP0.57
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 109134583
2-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 109140261
N-(2,6-dimethylphenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134555
N-(3-bromo-4-methylphenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134582
1-N-(2-methoxyphenyl)-2-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143314
N-(2,6-diethylphenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134564
2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 109139044
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134621
methyl 3-[[2-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109134760
N-(4-methoxyphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109138442
N-(4-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134248
2-N-(4-ethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142087

Frequently Asked Questions

What is the IUPAC name of 2-(4-formylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-formylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide (CID 109134584) is 2-(4-formylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-formylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-formylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide is COc1cccc(NC(=O)C2CC2C(=O)N2CCN(C=O)CC2)c1.
What is the InChIKey of 2-(4-formylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is HZSYHOPCLVXASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-24-13-4-2-3-12(9-13)18-16(22)14-10-15(14)17(23)20-7-5-19(11-21)6-8-20/h2-4,9,11,14-15H,5-8,10H2,1H3,(H,18,22).
What are the key properties of 2-(4-formylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide?
2-(4-formylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109134584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).