1-(2,3-dimethylindol-1-yl)-2-(4-phenylpiperazin-1-yl)ethanone

C22H25N3O — CID 802435

IUPAC1-(2,3-dimethylindol-1-yl)-2-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1c(C)n(C(=O)CN2CCN(c3ccccc3)CC2)c2ccccc12
InChIInChI=1S/C22H25N3O/c1-17-18(2)25(21-11-7-6-10-20(17)21)22(26)16-23-12-14-24(15-13-23)19-8-4-3-5-9-19/h3-11H,12-16H2,1-2H3
InChIKeyBDBPAQPFHRABSZ-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.72
Rot. Bonds3

About 1-(2,3-dimethylindol-1-yl)-2-(4-phenylpiperazin-1-yl)ethanone

1-(2,3-dimethylindol-1-yl)-2-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 802435) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-(2,3-dimethylindol-1-yl)-2-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dimethylindol-1-yl)-2-(4-phenylpiperazin-1-yl)ethanone
PubChem CID802435
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name1-(2,3-dimethylindol-1-yl)-2-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1c(C)n(C(=O)CN2CCN(c3ccccc3)CC2)c2ccccc12
InChIInChI=1S/C22H25N3O/c1-17-18(2)25(21-11-7-6-10-20(17)21)22(26)16-23-12-14-24(15-13-23)19-8-4-3-5-9-19/h3-11H,12-16H2,1-2H3
InChIKeyBDBPAQPFHRABSZ-UHFFFAOYSA-N
XLogP3.72
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylindol-1-yl)-2-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(2,3-dimethylindol-1-yl)-2-(4-phenylpiperazin-1-yl)ethanone (CID 802435) is 1-(2,3-dimethylindol-1-yl)-2-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(2,3-dimethylindol-1-yl)-2-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(2,3-dimethylindol-1-yl)-2-(4-phenylpiperazin-1-yl)ethanone is Cc1c(C)n(C(=O)CN2CCN(c3ccccc3)CC2)c2ccccc12.
What is the InChIKey of 1-(2,3-dimethylindol-1-yl)-2-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is BDBPAQPFHRABSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-17-18(2)25(21-11-7-6-10-20(17)21)22(26)16-23-12-14-24(15-13-23)19-8-4-3-5-9-19/h3-11H,12-16H2,1-2H3.
What are the key properties of 1-(2,3-dimethylindol-1-yl)-2-(4-phenylpiperazin-1-yl)ethanone?
1-(2,3-dimethylindol-1-yl)-2-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 347.46 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylindol-1-yl)-2-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 802435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).