N-[3-[cyclohexyl(methyl)amino]propyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide

C25H36N4O2 — CID 22553731

IUPACN-[3-[cyclohexyl(methyl)amino]propyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
SMILESCN(CCCNC(=O)C1CC2CCCN2C12C(=O)Nc1ccccc12)C1CCCCC1
InChIInChI=1S/C25H36N4O2/c1-28(18-9-3-2-4-10-18)15-8-14-26-23(30)21-17-19-11-7-16-29(19)25(21)20-12-5-6-13-22(20)27-24(25)31/h5-6,12-13,18-19,21H,2-4,7-11,14-17H2,1H3,(H,26,30)(H,27,31)
InChIKeyGVLNPAGCGYPTQL-UHFFFAOYSA-N
MW424.59 g/mol
LogP3.09
Rot. Bonds6

About N-[3-[cyclohexyl(methyl)amino]propyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide

N-[3-[cyclohexyl(methyl)amino]propyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide (PubChem CID 22553731) has the molecular formula C25H36N4O2 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-[3-[cyclohexyl(methyl)amino]propyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide.

Molecular Properties

Compound NameN-[3-[cyclohexyl(methyl)amino]propyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
PubChem CID22553731
Molecular FormulaC25H36N4O2
Molecular Weight424.59 g/mol
Exact Mass424.28
IUPAC NameN-[3-[cyclohexyl(methyl)amino]propyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
SMILESCN(CCCNC(=O)C1CC2CCCN2C12C(=O)Nc1ccccc12)C1CCCCC1
InChIInChI=1S/C25H36N4O2/c1-28(18-9-3-2-4-10-18)15-8-14-26-23(30)21-17-19-11-7-16-29(19)25(21)20-12-5-6-13-22(20)27-24(25)31/h5-6,12-13,18-19,21H,2-4,7-11,14-17H2,1H3,(H,26,30)(H,27,31)
InChIKeyGVLNPAGCGYPTQL-UHFFFAOYSA-N
XLogP3.09
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[cyclohexyl(methyl)amino]propyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide 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 N-[3-[cyclohexyl(methyl)amino]propyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide?
The IUPAC name of N-[3-[cyclohexyl(methyl)amino]propyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide (CID 22553731) is N-[3-[cyclohexyl(methyl)amino]propyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide.
What is the SMILES notation for N-[3-[cyclohexyl(methyl)amino]propyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide?
The canonical SMILES for N-[3-[cyclohexyl(methyl)amino]propyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide is CN(CCCNC(=O)C1CC2CCCN2C12C(=O)Nc1ccccc12)C1CCCCC1.
What is the InChIKey of N-[3-[cyclohexyl(methyl)amino]propyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide?
The InChIKey is GVLNPAGCGYPTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O2/c1-28(18-9-3-2-4-10-18)15-8-14-26-23(30)21-17-19-11-7-16-29(19)25(21)20-12-5-6-13-22(20)27-24(25)31/h5-6,12-13,18-19,21H,2-4,7-11,14-17H2,1H3,(H,26,30)(H,27,31).
What are the key properties of N-[3-[cyclohexyl(methyl)amino]propyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide?
N-[3-[cyclohexyl(methyl)amino]propyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide has a molecular weight of 424.59 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclohexyl(methyl)amino]propyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide is sourced from PubChem (CID 22553731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).