9-[3-(3-oxopiperazin-1-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carbonitrile

C20H24N4O — CID 70986115

IUPAC9-[3-(3-oxopiperazin-1-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1c(n2CCCN2CCNC(=O)C2)CCCC1
InChIInChI=1S/C20H24N4O/c21-13-15-6-7-19-17(12-15)16-4-1-2-5-18(16)24(19)10-3-9-23-11-8-22-20(25)14-23/h6-7,12H,1-5,8-11,14H2,(H,22,25)
InChIKeyKPIKOLXYFXAICB-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.21
Rot. Bonds4

About 9-[3-(3-oxopiperazin-1-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carbonitrile

9-[3-(3-oxopiperazin-1-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carbonitrile (PubChem CID 70986115) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 9-[3-(3-oxopiperazin-1-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[3-(3-oxopiperazin-1-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carbonitrile
PubChem CID70986115
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name9-[3-(3-oxopiperazin-1-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1c(n2CCCN2CCNC(=O)C2)CCCC1
InChIInChI=1S/C20H24N4O/c21-13-15-6-7-19-17(12-15)16-4-1-2-5-18(16)24(19)10-3-9-23-11-8-22-20(25)14-23/h6-7,12H,1-5,8-11,14H2,(H,22,25)
InChIKeyKPIKOLXYFXAICB-UHFFFAOYSA-N
XLogP2.21
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 9-[3-(3-oxopiperazin-1-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carbonitrile 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 9-[3-(3-oxopiperazin-1-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carbonitrile?
The IUPAC name of 9-[3-(3-oxopiperazin-1-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carbonitrile (CID 70986115) is 9-[3-(3-oxopiperazin-1-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carbonitrile.
What is the SMILES notation for 9-[3-(3-oxopiperazin-1-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carbonitrile?
The canonical SMILES for 9-[3-(3-oxopiperazin-1-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1c(n2CCCN2CCNC(=O)C2)CCCC1.
What is the InChIKey of 9-[3-(3-oxopiperazin-1-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carbonitrile?
The InChIKey is KPIKOLXYFXAICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c21-13-15-6-7-19-17(12-15)16-4-1-2-5-18(16)24(19)10-3-9-23-11-8-22-20(25)14-23/h6-7,12H,1-5,8-11,14H2,(H,22,25).
What are the key properties of 9-[3-(3-oxopiperazin-1-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carbonitrile?
9-[3-(3-oxopiperazin-1-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carbonitrile has a molecular weight of 336.44 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(3-oxopiperazin-1-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carbonitrile is sourced from PubChem (CID 70986115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).