3-ethyl-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one

C23H31N3O2 — CID 10022745

IUPAC3-ethyl-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one
SMILESCCc1c(C)[nH]c2c1C(=O)CC(CN1CCN(c3ccccc3OC)CC1)C2
InChIInChI=1S/C23H31N3O2/c1-4-18-16(2)24-19-13-17(14-21(27)23(18)19)15-25-9-11-26(12-10-25)20-7-5-6-8-22(20)28-3/h5-8,17,24H,4,9-15H2,1-3H3
InChIKeyWBOSTHWNFSNILI-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.46
Rot. Bonds5

About 3-ethyl-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one

3-ethyl-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one (PubChem CID 10022745) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 3-ethyl-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name3-ethyl-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one
PubChem CID10022745
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name3-ethyl-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one
SMILESCCc1c(C)[nH]c2c1C(=O)CC(CN1CCN(c3ccccc3OC)CC1)C2
InChIInChI=1S/C23H31N3O2/c1-4-18-16(2)24-19-13-17(14-21(27)23(18)19)15-25-9-11-26(12-10-25)20-7-5-6-8-22(20)28-3/h5-8,17,24H,4,9-15H2,1-3H3
InChIKeyWBOSTHWNFSNILI-UHFFFAOYSA-N
XLogP3.46
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 3-ethyl-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one (CID 10022745) is 3-ethyl-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 3-ethyl-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 3-ethyl-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one is CCc1c(C)[nH]c2c1C(=O)CC(CN1CCN(c3ccccc3OC)CC1)C2.
What is the InChIKey of 3-ethyl-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one?
The InChIKey is WBOSTHWNFSNILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-4-18-16(2)24-19-13-17(14-21(27)23(18)19)15-25-9-11-26(12-10-25)20-7-5-6-8-22(20)28-3/h5-8,17,24H,4,9-15H2,1-3H3.
What are the key properties of 3-ethyl-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one?
3-ethyl-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 381.52 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 10022745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).