3-cyano-N-[1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,3-dihydro-1H-inden-4-yl]benzamide

C27H30N4O2 — CID 155513917

IUPAC3-cyano-N-[1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,3-dihydro-1H-inden-4-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2cccc3c2CCC3N2CCN(C(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C27H30N4O2/c28-18-19-5-3-8-21(17-19)26(32)29-24-10-4-9-23-22(24)11-12-25(23)30-13-15-31(16-14-30)27(33)20-6-1-2-7-20/h3-5,8-10,17,20,25H,1-2,6-7,11-16H2,(H,29,32)
InChIKeyYYMICDVHCXFIBG-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.13
Rot. Bonds4

About 3-cyano-N-[1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,3-dihydro-1H-inden-4-yl]benzamide

3-cyano-N-[1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,3-dihydro-1H-inden-4-yl]benzamide (PubChem CID 155513917) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 3-cyano-N-[1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,3-dihydro-1H-inden-4-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,3-dihydro-1H-inden-4-yl]benzamide
PubChem CID155513917
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Name3-cyano-N-[1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,3-dihydro-1H-inden-4-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2cccc3c2CCC3N2CCN(C(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C27H30N4O2/c28-18-19-5-3-8-21(17-19)26(32)29-24-10-4-9-23-22(24)11-12-25(23)30-13-15-31(16-14-30)27(33)20-6-1-2-7-20/h3-5,8-10,17,20,25H,1-2,6-7,11-16H2,(H,29,32)
InChIKeyYYMICDVHCXFIBG-UHFFFAOYSA-N
XLogP4.13
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyano-N-[1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,3-dihydro-1H-inden-4-yl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,3-dihydro-1H-inden-4-yl]benzamide?
The IUPAC name of 3-cyano-N-[1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,3-dihydro-1H-inden-4-yl]benzamide (CID 155513917) is 3-cyano-N-[1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,3-dihydro-1H-inden-4-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,3-dihydro-1H-inden-4-yl]benzamide?
The canonical SMILES for 3-cyano-N-[1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,3-dihydro-1H-inden-4-yl]benzamide is N#Cc1cccc(C(=O)Nc2cccc3c2CCC3N2CCN(C(=O)C3CCCC3)CC2)c1.
What is the InChIKey of 3-cyano-N-[1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,3-dihydro-1H-inden-4-yl]benzamide?
The InChIKey is YYMICDVHCXFIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c28-18-19-5-3-8-21(17-19)26(32)29-24-10-4-9-23-22(24)11-12-25(23)30-13-15-31(16-14-30)27(33)20-6-1-2-7-20/h3-5,8-10,17,20,25H,1-2,6-7,11-16H2,(H,29,32).
What are the key properties of 3-cyano-N-[1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,3-dihydro-1H-inden-4-yl]benzamide?
3-cyano-N-[1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,3-dihydro-1H-inden-4-yl]benzamide has a molecular weight of 442.56 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,3-dihydro-1H-inden-4-yl]benzamide is sourced from PubChem (CID 155513917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).