1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone

C22H25N3O — CID 660035

IUPAC1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1ccc2c(C(=O)CN3CCN(c4ccccc4)CC3)c(C)[nH]c2c1
InChIInChI=1S/C22H25N3O/c1-16-8-9-19-20(14-16)23-17(2)22(19)21(26)15-24-10-12-25(13-11-24)18-6-4-3-5-7-18/h3-9,14,23H,10-13,15H2,1-2H3
InChIKeyXQFGXOHFFRFRRX-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.79
Rot. Bonds4

About 1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone

1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 660035) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone
PubChem CID660035
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1ccc2c(C(=O)CN3CCN(c4ccccc4)CC3)c(C)[nH]c2c1
InChIInChI=1S/C22H25N3O/c1-16-8-9-19-20(14-16)23-17(2)22(19)21(26)15-24-10-12-25(13-11-24)18-6-4-3-5-7-18/h3-9,14,23H,10-13,15H2,1-2H3
InChIKeyXQFGXOHFFRFRRX-UHFFFAOYSA-N
XLogP3.79
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Rutaecarpine
CID 65752
Biriperone
CID 68663
LY-517717
CID 9939865
1-((N-Methyl-2-piperidinyl)methyl)-3-(2-iodobenzoyl)-1H-indole
CID 10226340
Evodiamine
CID 442088
Rhetsinine
CID 99652
Indole, 3-(dimethylaminoacetyl)-
CID 34863
1-(1H-Indol-3-yl)-2-(1-piperidinyl)ethanone
CID 34864
Olinone
CID 91668531
2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 2176767
Fascaplysin
CID 73293
(4-Ethylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone
CID 45268707

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone (CID 660035) is 1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone is Cc1ccc2c(C(=O)CN3CCN(c4ccccc4)CC3)c(C)[nH]c2c1.
What is the InChIKey of 1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is XQFGXOHFFRFRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-8-9-19-20(14-16)23-17(2)22(19)21(26)15-24-10-12-25(13-11-24)18-6-4-3-5-7-18/h3-9,14,23H,10-13,15H2,1-2H3.
What are the key properties of 1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone?
1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 347.46 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 660035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).