N-(2,6-diethylphenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

C20H27N3O3 — CID 109134564

IUPACN-(2,6-diethylphenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1CC1C(=O)N1CCN(C=O)CC1
InChIInChI=1S/C20H27N3O3/c1-3-14-6-5-7-15(4-2)18(14)21-19(25)16-12-17(16)20(26)23-10-8-22(13-24)9-11-23/h5-7,13,16-17H,3-4,8-12H2,1-2H3,(H,21,25)
InChIKeyHLAOPBFMGDYWML-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.69
Rot. Bonds6

About N-(2,6-diethylphenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

N-(2,6-diethylphenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109134564) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109134564
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-(2,6-diethylphenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1CC1C(=O)N1CCN(C=O)CC1
InChIInChI=1S/C20H27N3O3/c1-3-14-6-5-7-15(4-2)18(14)21-19(25)16-12-17(16)20(26)23-10-8-22(13-24)9-11-23/h5-7,13,16-17H,3-4,8-12H2,1-2H3,(H,21,25)
InChIKeyHLAOPBFMGDYWML-UHFFFAOYSA-N
XLogP1.69
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylphenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134555
N-(2,6-diethylphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147643
2-(4-acetylpiperazine-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 109134716
N-(2-ethyl-6-methylphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147639
N-(2,6-diethylphenyl)-4-formylpiperazine-1-carbothioamide
CID 2100934
2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 109134583
2-(4-formylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 109134584
N-(2,6-diethylphenyl)-3-(4-formylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108961095
2-(azepane-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 109140690
N-(2-cyanophenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134639
4-[2-(4-formylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde
CID 109134481
N-(2,6-diethylphenyl)-2-(4-formylpiperazin-1-yl)acetamide
CID 108995795

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 109134564) is N-(2,6-diethylphenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is CCc1cccc(CC)c1NC(=O)C1CC1C(=O)N1CCN(C=O)CC1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is HLAOPBFMGDYWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-3-14-6-5-7-15(4-2)18(14)21-19(25)16-12-17(16)20(26)23-10-8-22(13-24)9-11-23/h5-7,13,16-17H,3-4,8-12H2,1-2H3,(H,21,25).
What are the key properties of N-(2,6-diethylphenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-(2,6-diethylphenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109134564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).