1-N-(3-cyanophenyl)-2-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide

C23H24N4O2 — CID 109143968

IUPAC1-N-(3-cyanophenyl)-2-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
SMILESN#Cc1cccc(NC(=O)C2CC2C(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C23H24N4O2/c24-15-16-5-4-6-18(13-16)26-23(29)21-14-20(21)22(28)25-17-7-9-19(10-8-17)27-11-2-1-3-12-27/h4-10,13,20-21H,1-3,11-12,14H2,(H,25,28)(H,26,29)
InChIKeyGJBCRWFINAGZMA-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.76
Rot. Bonds5

About 1-N-(3-cyanophenyl)-2-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide

1-N-(3-cyanophenyl)-2-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109143968) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-N-(3-cyanophenyl)-2-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-cyanophenyl)-2-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109143968
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name1-N-(3-cyanophenyl)-2-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
SMILESN#Cc1cccc(NC(=O)C2CC2C(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C23H24N4O2/c24-15-16-5-4-6-18(13-16)26-23(29)21-14-20(21)22(28)25-17-7-9-19(10-8-17)27-11-2-1-3-12-27/h4-10,13,20-21H,1-3,11-12,14H2,(H,25,28)(H,26,29)
InChIKeyGJBCRWFINAGZMA-UHFFFAOYSA-N
XLogP3.76
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-N-(3-cyanophenyl)-2-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-(3-acetylphenyl)-2-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143768
1-N-(3-cyanophenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143462
1-N-(3-cyanophenyl)-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141101
3-(3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041774
1-N-(3-cyanophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143641
N-(3-cyanophenyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109246061
1-N-(3-bromophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 109144038
2-(3-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 109178743
1-N-(3-cyanophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130608
3-cyano-N-(3-piperidin-1-ylphenyl)benzamide
CID 110362112
2-N-(3-cyanophenyl)-1-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109140997
trans-(1R,2R)-1-N,2-N-bis(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 124628395

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-cyanophenyl)-2-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-cyanophenyl)-2-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide (CID 109143968) is 1-N-(3-cyanophenyl)-2-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-cyanophenyl)-2-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-cyanophenyl)-2-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide is N#Cc1cccc(NC(=O)C2CC2C(=O)Nc2ccc(N3CCCCC3)cc2)c1.
What is the InChIKey of 1-N-(3-cyanophenyl)-2-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is GJBCRWFINAGZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c24-15-16-5-4-6-18(13-16)26-23(29)21-14-20(21)22(28)25-17-7-9-19(10-8-17)27-11-2-1-3-12-27/h4-10,13,20-21H,1-3,11-12,14H2,(H,25,28)(H,26,29).
What are the key properties of 1-N-(3-cyanophenyl)-2-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide?
1-N-(3-cyanophenyl)-2-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-cyanophenyl)-2-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109143968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).