(3,4-dimethoxyphenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone

C23H26N2O3 — CID 113088040

IUPAC(3,4-dimethoxyphenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(c3cc4cc(C)ccc4[nH]3)CC2)cc1OC
InChIInChI=1S/C23H26N2O3/c1-15-4-6-19-18(12-15)13-20(24-19)16-8-10-25(11-9-16)23(26)17-5-7-21(27-2)22(14-17)28-3/h4-7,12-14,16,24H,8-11H2,1-3H3
InChIKeyCFIQXEIUZTYNMG-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.51
Rot. Bonds4

About (3,4-dimethoxyphenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone

(3,4-dimethoxyphenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone (PubChem CID 113088040) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
PubChem CID113088040
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name(3,4-dimethoxyphenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(c3cc4cc(C)ccc4[nH]3)CC2)cc1OC
InChIInChI=1S/C23H26N2O3/c1-15-4-6-19-18(12-15)13-20(24-19)16-8-10-25(11-9-16)23(26)17-5-7-21(27-2)22(14-17)28-3/h4-7,12-14,16,24H,8-11H2,1-3H3
InChIKeyCFIQXEIUZTYNMG-UHFFFAOYSA-N
XLogP4.51
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3,4-dimethoxyphenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone 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

1,3-benzodioxol-5-yl-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088055
(3-fluorophenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088033
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39572485
[4-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113088126
(3-fluorophenyl)-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088227
(3,4-dimethoxyphenyl)-[4-(2,5-dimethylanilino)piperidin-1-yl]methanone
CID 3373464
(3,4-difluorophenyl)-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088680
1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]-2-phenylethanone
CID 113088043
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 113088321
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 84579149

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone (CID 113088040) is (3,4-dimethoxyphenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCC(c3cc4cc(C)ccc4[nH]3)CC2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone?
The InChIKey is CFIQXEIUZTYNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-15-4-6-19-18(12-15)13-20(24-19)16-8-10-25(11-9-16)23(26)17-5-7-21(27-2)22(14-17)28-3/h4-7,12-14,16,24H,8-11H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone?
(3,4-dimethoxyphenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone has a molecular weight of 378.47 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 113088040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).