1-(6-methoxy-2-methyl-2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)ethanone

C22H27N3O2 — CID 70905569

IUPAC1-(6-methoxy-2-methyl-2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)ethanone
SMILESCOc1ccc2c(c1)N(C(=O)CN1CCN(c3ccccc3)CC1)C(C)C2
InChIInChI=1S/C22H27N3O2/c1-17-14-18-8-9-20(27-2)15-21(18)25(17)22(26)16-23-10-12-24(13-11-23)19-6-4-3-5-7-19/h3-9,15,17H,10-14,16H2,1-2H3
InChIKeyPMHJMQLZQRLGGB-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.80
Rot. Bonds4

About 1-(6-methoxy-2-methyl-2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)ethanone

1-(6-methoxy-2-methyl-2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 70905569) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-(6-methoxy-2-methyl-2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(6-methoxy-2-methyl-2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)ethanone
PubChem CID70905569
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-(6-methoxy-2-methyl-2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)ethanone
SMILESCOc1ccc2c(c1)N(C(=O)CN1CCN(c3ccccc3)CC1)C(C)C2
InChIInChI=1S/C22H27N3O2/c1-17-14-18-8-9-20(27-2)15-21(18)25(17)22(26)16-23-10-12-24(13-11-23)19-6-4-3-5-7-19/h3-9,15,17H,10-14,16H2,1-2H3
InChIKeyPMHJMQLZQRLGGB-UHFFFAOYSA-N
XLogP2.80
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 8690886
(4R)-4-methyl-5-[2-(4-phenylpiperazin-1-yl)acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 7085206
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-diazepan-1-yl]ethanone
CID 3438367
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 5296275
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9436120
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 41325271
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone
CID 863811
2-(7-methoxynaphthalen-2-yl)oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7652721
5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 55382185
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7586805
1-(2-methyl-2,3-dihydroindol-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109029430
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995439

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2-methyl-2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(6-methoxy-2-methyl-2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)ethanone (CID 70905569) is 1-(6-methoxy-2-methyl-2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(6-methoxy-2-methyl-2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(6-methoxy-2-methyl-2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)ethanone is COc1ccc2c(c1)N(C(=O)CN1CCN(c3ccccc3)CC1)C(C)C2.
What is the InChIKey of 1-(6-methoxy-2-methyl-2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is PMHJMQLZQRLGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17-14-18-8-9-20(27-2)15-21(18)25(17)22(26)16-23-10-12-24(13-11-23)19-6-4-3-5-7-19/h3-9,15,17H,10-14,16H2,1-2H3.
What are the key properties of 1-(6-methoxy-2-methyl-2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)ethanone?
1-(6-methoxy-2-methyl-2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 365.48 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2-methyl-2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 70905569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).