3-(1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

C22H25N3O2 — CID 4241337

IUPAC3-(1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H25N3O2/c1-27-21-9-5-4-8-20(21)24-12-14-25(15-13-24)22(26)11-10-17-16-23-19-7-3-2-6-18(17)19/h2-9,16,23H,10-15H2,1H3
InChIKeyRKLJOWZFIWOFMA-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.46
Rot. Bonds5

About 3-(1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

3-(1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 4241337) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID4241337
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-(1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H25N3O2/c1-27-21-9-5-4-8-20(21)24-12-14-25(15-13-24)22(26)11-10-17-16-23-19-7-3-2-6-18(17)19/h2-9,16,23H,10-15H2,1H3
InChIKeyRKLJOWZFIWOFMA-UHFFFAOYSA-N
XLogP3.46
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one (CID 4241337) is 3-(1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one is COc1ccccc1N1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 3-(1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is RKLJOWZFIWOFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-27-21-9-5-4-8-20(21)24-12-14-25(15-13-24)22(26)11-10-17-16-23-19-7-3-2-6-18(17)19/h2-9,16,23H,10-15H2,1H3.
What are the key properties of 3-(1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
3-(1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 363.46 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 4241337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).