3-[5-[3-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]pentyl]-1H-indole

C25H30N2O — CID 70044622

IUPAC3-[5-[3-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]pentyl]-1H-indole
SMILESCOc1cccc(C2C=CCNC2CCCCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C25H30N2O/c1-28-21-11-7-10-19(17-21)22-13-8-16-26-24(22)14-4-2-3-9-20-18-27-25-15-6-5-12-23(20)25/h5-8,10-13,15,17-18,22,24,26-27H,2-4,9,14,16H2,1H3
InChIKeyBKIOMMBIQGPTBM-UHFFFAOYSA-N
MW374.53 g/mol
LogP5.59
Rot. Bonds8

About 3-[5-[3-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]pentyl]-1H-indole

3-[5-[3-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]pentyl]-1H-indole (PubChem CID 70044622) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is 3-[5-[3-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]pentyl]-1H-indole.

Molecular Properties

Compound Name3-[5-[3-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]pentyl]-1H-indole
PubChem CID70044622
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name3-[5-[3-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]pentyl]-1H-indole
SMILESCOc1cccc(C2C=CCNC2CCCCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C25H30N2O/c1-28-21-11-7-10-19(17-21)22-13-8-16-26-24(22)14-4-2-3-9-20-18-27-25-15-6-5-12-23(20)25/h5-8,10-13,15,17-18,22,24,26-27H,2-4,9,14,16H2,1H3
InChIKeyBKIOMMBIQGPTBM-UHFFFAOYSA-N
XLogP5.59
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[5-[3-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]pentyl]-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

Related Compounds

3-[2-(3-methoxyphenyl)ethyl]-1H-indole
CID 22038177
3-[3-[3-(3-methoxyphenyl)piperidin-1-yl]propyl]-1H-indole
CID 70046463
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
2-(3-methoxyphenyl)ethyl 4-(1H-indol-3-yl)butanedithioate
CID 58171051
3-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-5-methoxy-1H-indole;hydrochloride
CID 131720346
N'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948641
3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4782159
N-[(2,5-dimethoxyphenyl)methyl]-3-(1H-indol-3-yl)propan-1-amine
CID 119125508
4-N-[2-(1H-indol-3-yl)ethyl]-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861587
(3,5-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium
CID 2055772
3-heptyl-1H-indole
CID 15360907
N-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000852

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]pentyl]-1H-indole?
The IUPAC name of 3-[5-[3-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]pentyl]-1H-indole (CID 70044622) is 3-[5-[3-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]pentyl]-1H-indole.
What is the SMILES notation for 3-[5-[3-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]pentyl]-1H-indole?
The canonical SMILES for 3-[5-[3-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]pentyl]-1H-indole is COc1cccc(C2C=CCNC2CCCCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of 3-[5-[3-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]pentyl]-1H-indole?
The InChIKey is BKIOMMBIQGPTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-28-21-11-7-10-19(17-21)22-13-8-16-26-24(22)14-4-2-3-9-20-18-27-25-15-6-5-12-23(20)25/h5-8,10-13,15,17-18,22,24,26-27H,2-4,9,14,16H2,1H3.
What are the key properties of 3-[5-[3-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]pentyl]-1H-indole?
3-[5-[3-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]pentyl]-1H-indole has a molecular weight of 374.53 g/mol, XLogP of 5.59, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]pentyl]-1H-indole is sourced from PubChem (CID 70044622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).