2-(4-methoxyphenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone

C23H26N2O2 — CID 113087303

IUPAC2-(4-methoxyphenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC(c3c(C)[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C23H26N2O2/c1-16-23(20-5-3-4-6-21(20)24-16)18-11-13-25(14-12-18)22(26)15-17-7-9-19(27-2)10-8-17/h3-10,18,24H,11-15H2,1-2H3
InChIKeyHJQCNDPUAWBMHZ-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.43
Rot. Bonds4

About 2-(4-methoxyphenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone

2-(4-methoxyphenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone (PubChem CID 113087303) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone
PubChem CID113087303
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name2-(4-methoxyphenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC(c3c(C)[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C23H26N2O2/c1-16-23(20-5-3-4-6-21(20)24-16)18-11-13-25(14-12-18)22(26)15-17-7-9-19(27-2)10-8-17/h3-10,18,24H,11-15H2,1-2H3
InChIKeyHJQCNDPUAWBMHZ-UHFFFAOYSA-N
XLogP4.43
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone (CID 113087303) is 2-(4-methoxyphenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone is COc1ccc(CC(=O)N2CCC(c3c(C)[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is HJQCNDPUAWBMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-16-23(20-5-3-4-6-21(20)24-16)18-11-13-25(14-12-18)22(26)15-17-7-9-19(27-2)10-8-17/h3-10,18,24H,11-15H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone?
2-(4-methoxyphenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 362.47 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 113087303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).