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

C17H21N3O4 — CID 109134583

IUPAC2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1NC(=O)C1CC1C(=O)N1CCN(C=O)CC1
InChIInChI=1S/C17H21N3O4/c1-24-15-5-3-2-4-14(15)18-16(22)12-10-13(12)17(23)20-8-6-19(11-21)7-9-20/h2-5,11-13H,6-10H2,1H3,(H,18,22)
InChIKeyFDVGAXIPKQHIGL-UHFFFAOYSA-N
MW331.37 g/mol
LogP0.57
Rot. Bonds5

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

2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 109134583) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID109134583
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1NC(=O)C1CC1C(=O)N1CCN(C=O)CC1
InChIInChI=1S/C17H21N3O4/c1-24-15-5-3-2-4-14(15)18-16(22)12-10-13(12)17(23)20-8-6-19(11-21)7-9-20/h2-5,11-13H,6-10H2,1H3,(H,18,22)
InChIKeyFDVGAXIPKQHIGL-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

N-(2-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134246
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 109138487
2-(4-formylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 109134584
N-(2-cyanophenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134639
trans-(1R,2R)-2-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 129468162
N-(2,6-dimethylphenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134555
N-(2,6-diethylphenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134564
1-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 108974347
1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 55653512
1-N-(3,5-dichlorophenyl)-2-N-(2-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143352
N-(2-methoxy-5-methylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131920
N-(2-phenoxyphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132342

Frequently Asked Questions

What is the IUPAC name of 2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide (CID 109134583) is 2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccccc1NC(=O)C1CC1C(=O)N1CCN(C=O)CC1.
What is the InChIKey of 2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is FDVGAXIPKQHIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-24-15-5-3-2-4-14(15)18-16(22)12-10-13(12)17(23)20-8-6-19(11-21)7-9-20/h2-5,11-13H,6-10H2,1H3,(H,18,22).
What are the key properties of 2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide?
2-(4-formylpiperazine-1-carbonyl)-N-(2-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-(2-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109134583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).