2-(3,4-dimethoxyphenyl)-5-(1-piperidin-4-ylpiperidin-4-yl)-3-propan-2-yl-1H-indole

C29H39N3O2 — CID 134230324

IUPAC2-(3,4-dimethoxyphenyl)-5-(1-piperidin-4-ylpiperidin-4-yl)-3-propan-2-yl-1H-indole
SMILESCOc1ccc(-c2[nH]c3ccc(C4CCN(C5CCNCC5)CC4)cc3c2C(C)C)cc1OC
InChIInChI=1S/C29H39N3O2/c1-19(2)28-24-17-21(20-11-15-32(16-12-20)23-9-13-30-14-10-23)5-7-25(24)31-29(28)22-6-8-26(33-3)27(18-22)34-4/h5-8,17-20,23,30-31H,9-16H2,1-4H3
InChIKeyKZYPILUDLFNOQY-UHFFFAOYSA-N
MW461.65 g/mol
LogP5.91
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-5-(1-piperidin-4-ylpiperidin-4-yl)-3-propan-2-yl-1H-indole

2-(3,4-dimethoxyphenyl)-5-(1-piperidin-4-ylpiperidin-4-yl)-3-propan-2-yl-1H-indole (PubChem CID 134230324) has the molecular formula C29H39N3O2 and a molecular weight of 461.65 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5-(1-piperidin-4-ylpiperidin-4-yl)-3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5-(1-piperidin-4-ylpiperidin-4-yl)-3-propan-2-yl-1H-indole
PubChem CID134230324
Molecular FormulaC29H39N3O2
Molecular Weight461.65 g/mol
Exact Mass461.30
IUPAC Name2-(3,4-dimethoxyphenyl)-5-(1-piperidin-4-ylpiperidin-4-yl)-3-propan-2-yl-1H-indole
SMILESCOc1ccc(-c2[nH]c3ccc(C4CCN(C5CCNCC5)CC4)cc3c2C(C)C)cc1OC
InChIInChI=1S/C29H39N3O2/c1-19(2)28-24-17-21(20-11-15-32(16-12-20)23-9-13-30-14-10-23)5-7-25(24)31-29(28)22-6-8-26(33-3)27(18-22)34-4/h5-8,17-20,23,30-31H,9-16H2,1-4H3
InChIKeyKZYPILUDLFNOQY-UHFFFAOYSA-N
XLogP5.91
TPSA49.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.65
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dimethoxyphenyl)-5-(1-piperidin-4-ylpiperidin-4-yl)-3-propan-2-yl-1H-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 2-(3,4-dimethoxyphenyl)-5-(1-piperidin-4-ylpiperidin-4-yl)-3-propan-2-yl-1H-indole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5-(1-piperidin-4-ylpiperidin-4-yl)-3-propan-2-yl-1H-indole (CID 134230324) is 2-(3,4-dimethoxyphenyl)-5-(1-piperidin-4-ylpiperidin-4-yl)-3-propan-2-yl-1H-indole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5-(1-piperidin-4-ylpiperidin-4-yl)-3-propan-2-yl-1H-indole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5-(1-piperidin-4-ylpiperidin-4-yl)-3-propan-2-yl-1H-indole is COc1ccc(-c2[nH]c3ccc(C4CCN(C5CCNCC5)CC4)cc3c2C(C)C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5-(1-piperidin-4-ylpiperidin-4-yl)-3-propan-2-yl-1H-indole?
The InChIKey is KZYPILUDLFNOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O2/c1-19(2)28-24-17-21(20-11-15-32(16-12-20)23-9-13-30-14-10-23)5-7-25(24)31-29(28)22-6-8-26(33-3)27(18-22)34-4/h5-8,17-20,23,30-31H,9-16H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5-(1-piperidin-4-ylpiperidin-4-yl)-3-propan-2-yl-1H-indole?
2-(3,4-dimethoxyphenyl)-5-(1-piperidin-4-ylpiperidin-4-yl)-3-propan-2-yl-1H-indole has a molecular weight of 461.65 g/mol, XLogP of 5.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5-(1-piperidin-4-ylpiperidin-4-yl)-3-propan-2-yl-1H-indole is sourced from PubChem (CID 134230324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).