2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone

C23H28FN3O2 — CID 9436120

IUPAC2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESCOc1ccc(F)cc1CN1CCN(CC(=O)N2c3ccccc3C[C@H]2C)CC1
InChIInChI=1S/C23H28FN3O2/c1-17-13-18-5-3-4-6-21(18)27(17)23(28)16-26-11-9-25(10-12-26)15-19-14-20(24)7-8-22(19)29-2/h3-8,14,17H,9-13,15-16H2,1-2H3/t17-/m1/s1
InChIKeyDKDVNWOMSZWKTB-QGZVFWFLSA-N
MW397.49 g/mol
LogP2.93
Rot. Bonds5

About 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone

2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 9436120) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID9436120
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESCOc1ccc(F)cc1CN1CCN(CC(=O)N2c3ccccc3C[C@H]2C)CC1
InChIInChI=1S/C23H28FN3O2/c1-17-13-18-5-3-4-6-21(18)27(17)23(28)16-26-11-9-25(10-12-26)15-19-14-20(24)7-8-22(19)29-2/h3-8,14,17H,9-13,15-16H2,1-2H3/t17-/m1/s1
InChIKeyDKDVNWOMSZWKTB-QGZVFWFLSA-N
XLogP2.93
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 51632378
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-[(2-methoxy-5-methylphenyl)methylsulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 8928761
2-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 8690886
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9136491
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 112839735
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9168063
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 41325271
2-amino-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 98023481
2-(4-chlorophenyl)-1-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 112829151
(3-fluoro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 46819959

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone (CID 9436120) is 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone is COc1ccc(F)cc1CN1CCN(CC(=O)N2c3ccccc3C[C@H]2C)CC1.
What is the InChIKey of 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is DKDVNWOMSZWKTB-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-17-13-18-5-3-4-6-21(18)27(17)23(28)16-26-11-9-25(10-12-26)15-19-14-20(24)7-8-22(19)29-2/h3-8,14,17H,9-13,15-16H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 397.49 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 9436120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).