1-(4-pyrrolidin-1-ylpiperidin-1-yl)-9H-pyrido[3,4-b]indole

C20H24N4 — CID 86016146

IUPAC1-(4-pyrrolidin-1-ylpiperidin-1-yl)-9H-pyrido[3,4-b]indole
SMILESc1ccc2c(c1)[nH]c1c(N3CCC(N4CCCC4)CC3)nccc12
InChIInChI=1S/C20H24N4/c1-2-6-18-16(5-1)17-7-10-21-20(19(17)22-18)24-13-8-15(9-14-24)23-11-3-4-12-23/h1-2,5-7,10,15,22H,3-4,8-9,11-14H2
InChIKeyXJDIUIHCCLGJDP-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.78
Rot. Bonds2

About 1-(4-pyrrolidin-1-ylpiperidin-1-yl)-9H-pyrido[3,4-b]indole

1-(4-pyrrolidin-1-ylpiperidin-1-yl)-9H-pyrido[3,4-b]indole (PubChem CID 86016146) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-(4-pyrrolidin-1-ylpiperidin-1-yl)-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-(4-pyrrolidin-1-ylpiperidin-1-yl)-9H-pyrido[3,4-b]indole
PubChem CID86016146
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name1-(4-pyrrolidin-1-ylpiperidin-1-yl)-9H-pyrido[3,4-b]indole
SMILESc1ccc2c(c1)[nH]c1c(N3CCC(N4CCCC4)CC3)nccc12
InChIInChI=1S/C20H24N4/c1-2-6-18-16(5-1)17-7-10-21-20(19(17)22-18)24-13-8-15(9-14-24)23-11-3-4-12-23/h1-2,5-7,10,15,22H,3-4,8-9,11-14H2
InChIKeyXJDIUIHCCLGJDP-UHFFFAOYSA-N
XLogP3.78
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-pyrrolidin-1-ylpiperidin-1-yl)-9H-pyrido[3,4-b]indole 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 1-(4-pyrrolidin-1-ylpiperidin-1-yl)-9H-pyrido[3,4-b]indole?
The IUPAC name of 1-(4-pyrrolidin-1-ylpiperidin-1-yl)-9H-pyrido[3,4-b]indole (CID 86016146) is 1-(4-pyrrolidin-1-ylpiperidin-1-yl)-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-(4-pyrrolidin-1-ylpiperidin-1-yl)-9H-pyrido[3,4-b]indole?
The canonical SMILES for 1-(4-pyrrolidin-1-ylpiperidin-1-yl)-9H-pyrido[3,4-b]indole is c1ccc2c(c1)[nH]c1c(N3CCC(N4CCCC4)CC3)nccc12.
What is the InChIKey of 1-(4-pyrrolidin-1-ylpiperidin-1-yl)-9H-pyrido[3,4-b]indole?
The InChIKey is XJDIUIHCCLGJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-2-6-18-16(5-1)17-7-10-21-20(19(17)22-18)24-13-8-15(9-14-24)23-11-3-4-12-23/h1-2,5-7,10,15,22H,3-4,8-9,11-14H2.
What are the key properties of 1-(4-pyrrolidin-1-ylpiperidin-1-yl)-9H-pyrido[3,4-b]indole?
1-(4-pyrrolidin-1-ylpiperidin-1-yl)-9H-pyrido[3,4-b]indole has a molecular weight of 320.44 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrrolidin-1-ylpiperidin-1-yl)-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 86016146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).