2,3-dihydroindol-1-yl-[3-[[4-[2-(2-methylpropoxy)phenyl]piperazin-1-yl]methyl]phenyl]methanone

C30H35N3O2 — CID 58692269

IUPAC2,3-dihydroindol-1-yl-[3-[[4-[2-(2-methylpropoxy)phenyl]piperazin-1-yl]methyl]phenyl]methanone
SMILESCC(C)COc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCc4ccccc43)c2)CC1
InChIInChI=1S/C30H35N3O2/c1-23(2)22-35-29-13-6-5-12-28(29)32-18-16-31(17-19-32)21-24-8-7-10-26(20-24)30(34)33-15-14-25-9-3-4-11-27(25)33/h3-13,20,23H,14-19,21-22H2,1-2H3
InChIKeyCCYDCBDVBOTGLE-UHFFFAOYSA-N
MW469.63 g/mol
LogP5.25
Rot. Bonds7

About 2,3-dihydroindol-1-yl-[3-[[4-[2-(2-methylpropoxy)phenyl]piperazin-1-yl]methyl]phenyl]methanone

2,3-dihydroindol-1-yl-[3-[[4-[2-(2-methylpropoxy)phenyl]piperazin-1-yl]methyl]phenyl]methanone (PubChem CID 58692269) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[3-[[4-[2-(2-methylpropoxy)phenyl]piperazin-1-yl]methyl]phenyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[3-[[4-[2-(2-methylpropoxy)phenyl]piperazin-1-yl]methyl]phenyl]methanone
PubChem CID58692269
Molecular FormulaC30H35N3O2
Molecular Weight469.63 g/mol
Exact Mass469.27
IUPAC Name2,3-dihydroindol-1-yl-[3-[[4-[2-(2-methylpropoxy)phenyl]piperazin-1-yl]methyl]phenyl]methanone
SMILESCC(C)COc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCc4ccccc43)c2)CC1
InChIInChI=1S/C30H35N3O2/c1-23(2)22-35-29-13-6-5-12-28(29)32-18-16-31(17-19-32)21-24-8-7-10-26(20-24)30(34)33-15-14-25-9-3-4-11-27(25)33/h3-13,20,23H,14-19,21-22H2,1-2H3
InChIKeyCCYDCBDVBOTGLE-UHFFFAOYSA-N
XLogP5.25
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[3-[[4-[2-(2-methylpropoxy)phenyl]piperazin-1-yl]methyl]phenyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[3-[[4-[2-(2-methylpropoxy)phenyl]piperazin-1-yl]methyl]phenyl]methanone (CID 58692269) is 2,3-dihydroindol-1-yl-[3-[[4-[2-(2-methylpropoxy)phenyl]piperazin-1-yl]methyl]phenyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[3-[[4-[2-(2-methylpropoxy)phenyl]piperazin-1-yl]methyl]phenyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[3-[[4-[2-(2-methylpropoxy)phenyl]piperazin-1-yl]methyl]phenyl]methanone is CC(C)COc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCc4ccccc43)c2)CC1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[3-[[4-[2-(2-methylpropoxy)phenyl]piperazin-1-yl]methyl]phenyl]methanone?
The InChIKey is CCYDCBDVBOTGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2/c1-23(2)22-35-29-13-6-5-12-28(29)32-18-16-31(17-19-32)21-24-8-7-10-26(20-24)30(34)33-15-14-25-9-3-4-11-27(25)33/h3-13,20,23H,14-19,21-22H2,1-2H3.
What are the key properties of 2,3-dihydroindol-1-yl-[3-[[4-[2-(2-methylpropoxy)phenyl]piperazin-1-yl]methyl]phenyl]methanone?
2,3-dihydroindol-1-yl-[3-[[4-[2-(2-methylpropoxy)phenyl]piperazin-1-yl]methyl]phenyl]methanone has a molecular weight of 469.63 g/mol, XLogP of 5.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[3-[[4-[2-(2-methylpropoxy)phenyl]piperazin-1-yl]methyl]phenyl]methanone is sourced from PubChem (CID 58692269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).