Skip to content

1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine

C32H46N4O2 — CID 154639333

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine
SMILESCOc1ccc(-c2[nH]c3ccc(N4CCC(NC5CCN(C(C)C)CC5)CC4)cc3c2C(C)C)cc1OC
InChIInChI=1S/C32H46N4O2/c1-21(2)31-27-20-26(8-9-28(27)34-32(31)23-7-10-29(37-5)30(19-23)38-6)36-17-13-25(14-18-36)33-24-11-15-35(16-12-24)22(3)4/h7-10,19-22,24-25,33-34H,11-18H2,1-6H3
InChIKeyIVAJRYGUNZIMEY-UHFFFAOYSA-N
MW518.75 g/mol
LogP6.41
Rot. Bonds8

About 1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine

1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine (PubChem CID 154639333) has the molecular formula C32H46N4O2 and a molecular weight of 518.75 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine
PubChem CID154639333
Molecular FormulaC32H46N4O2
Molecular Weight518.75 g/mol
Exact Mass518.36
IUPAC Name1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine
SMILESCOc1ccc(-c2[nH]c3ccc(N4CCC(NC5CCN(C(C)C)CC5)CC4)cc3c2C(C)C)cc1OC
InChIInChI=1S/C32H46N4O2/c1-21(2)31-27-20-26(8-9-28(27)34-32(31)23-7-10-29(37-5)30(19-23)38-6)36-17-13-25(14-18-36)33-24-11-15-35(16-12-24)22(3)4/h7-10,19-22,24-25,33-34H,11-18H2,1-6H3
InChIKeyIVAJRYGUNZIMEY-UHFFFAOYSA-N
XLogP6.41
TPSA52.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.75
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine 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-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine (CID 154639333) is 1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine is COc1ccc(-c2[nH]c3ccc(N4CCC(NC5CCN(C(C)C)CC5)CC4)cc3c2C(C)C)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine?
The InChIKey is IVAJRYGUNZIMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N4O2/c1-21(2)31-27-20-26(8-9-28(27)34-32(31)23-7-10-29(37-5)30(19-23)38-6)36-17-13-25(14-18-36)33-24-11-15-35(16-12-24)22(3)4/h7-10,19-22,24-25,33-34H,11-18H2,1-6H3.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine?
1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine has a molecular weight of 518.75 g/mol, XLogP of 6.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 154639333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.