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

C17H18N4O3 — CID 109134639

IUPACN-(2-cyanophenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESN#Cc1ccccc1NC(=O)C1CC1C(=O)N1CCN(C=O)CC1
InChIInChI=1S/C17H18N4O3/c18-10-12-3-1-2-4-15(12)19-16(23)13-9-14(13)17(24)21-7-5-20(11-22)6-8-21/h1-4,11,13-14H,5-9H2,(H,19,23)
InChIKeyCLKVFXRYAQSSDG-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.43
Rot. Bonds4

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

N-(2-cyanophenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109134639) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109134639
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-(2-cyanophenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESN#Cc1ccccc1NC(=O)C1CC1C(=O)N1CCN(C=O)CC1
InChIInChI=1S/C17H18N4O3/c18-10-12-3-1-2-4-15(12)19-16(23)13-9-14(13)17(24)21-7-5-20(11-22)6-8-21/h1-4,11,13-14H,5-9H2,(H,19,23)
InChIKeyCLKVFXRYAQSSDG-UHFFFAOYSA-N
XLogP0.43
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.43
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
N-(2,6-dimethylphenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134555
1-N-(2-cyanophenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide
CID 109131004
N-(2,6-diethylphenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134564
2-N-(2-cyanophenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141896
2-N-(4-bromophenyl)-1-N-(2-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 109143302
4-[2-(4-formylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde
CID 109134481
1-N-(2-cyanophenyl)-2-N-(2,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144163
1-N-(2-cyanophenyl)-2-N-[4-(diethylamino)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143947
N-(2-cyanophenyl)-2-phenylcyclopropane-1-carboxamide
CID 3093789
N-(2-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134208
N-(2-cyanophenyl)-4-(4-formylpiperazine-1-carbonyl)benzenesulfonamide
CID 109060459

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 109134639) is N-(2-cyanophenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is N#Cc1ccccc1NC(=O)C1CC1C(=O)N1CCN(C=O)CC1.
What is the InChIKey of N-(2-cyanophenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is CLKVFXRYAQSSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c18-10-12-3-1-2-4-15(12)19-16(23)13-9-14(13)17(24)21-7-5-20(11-22)6-8-21/h1-4,11,13-14H,5-9H2,(H,19,23).
What are the key properties of N-(2-cyanophenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-(2-cyanophenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109134639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).