[4-(2-methoxyphenyl)piperazin-1-yl]-(5-methyl-1H-indol-2-yl)methanone

C21H23N3O2 — CID 5237834

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-(5-methyl-1H-indol-2-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)CC1
InChIInChI=1S/C21H23N3O2/c1-15-7-8-17-16(13-15)14-18(22-17)21(25)24-11-9-23(10-12-24)19-5-3-4-6-20(19)26-2/h3-8,13-14,22H,9-12H2,1-2H3
InChIKeyAQBJVDXPWALSOW-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.45
Rot. Bonds3

About [4-(2-methoxyphenyl)piperazin-1-yl]-(5-methyl-1H-indol-2-yl)methanone

[4-(2-methoxyphenyl)piperazin-1-yl]-(5-methyl-1H-indol-2-yl)methanone (PubChem CID 5237834) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-(5-methyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-(5-methyl-1H-indol-2-yl)methanone
PubChem CID5237834
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-(5-methyl-1H-indol-2-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)CC1
InChIInChI=1S/C21H23N3O2/c1-15-7-8-17-16(13-15)14-18(22-17)21(25)24-11-9-23(10-12-24)19-5-3-4-6-20(19)26-2/h3-8,13-14,22H,9-12H2,1-2H3
InChIKeyAQBJVDXPWALSOW-UHFFFAOYSA-N
XLogP3.45
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(5-methyl-1H-indol-2-yl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(5-methyl-1H-indol-2-yl)methanone (CID 5237834) is [4-(2-methoxyphenyl)piperazin-1-yl]-(5-methyl-1H-indol-2-yl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-(5-methyl-1H-indol-2-yl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-(5-methyl-1H-indol-2-yl)methanone is COc1ccccc1N1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-(5-methyl-1H-indol-2-yl)methanone?
The InChIKey is AQBJVDXPWALSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-7-8-17-16(13-15)14-18(22-17)21(25)24-11-9-23(10-12-24)19-5-3-4-6-20(19)26-2/h3-8,13-14,22H,9-12H2,1-2H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-(5-methyl-1H-indol-2-yl)methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-(5-methyl-1H-indol-2-yl)methanone has a molecular weight of 349.43 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-(5-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 5237834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).