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

C29H33N3O2 — CID 10718592

IUPAC2,3-dihydroindol-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone
SMILESCC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCc4ccccc43)c2)CC1
InChIInChI=1S/C29H33N3O2/c1-22(2)34-28-13-6-5-12-27(28)31-18-16-30(17-19-31)21-23-8-7-10-25(20-23)29(33)32-15-14-24-9-3-4-11-26(24)32/h3-13,20,22H,14-19,21H2,1-2H3
InChIKeyCBLUNKVNKSMVMO-UHFFFAOYSA-N
MW455.60 g/mol
LogP5.00
Rot. Bonds6

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

2,3-dihydroindol-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone (PubChem CID 10718592) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone
PubChem CID10718592
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC Name2,3-dihydroindol-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone
SMILESCC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCc4ccccc43)c2)CC1
InChIInChI=1S/C29H33N3O2/c1-22(2)34-28-13-6-5-12-27(28)31-18-16-30(17-19-31)21-23-8-7-10-25(20-23)29(33)32-15-14-24-9-3-4-11-26(24)32/h3-13,20,22H,14-19,21H2,1-2H3
InChIKeyCBLUNKVNKSMVMO-UHFFFAOYSA-N
XLogP5.00
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 55.00
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-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone (CID 10718592) is 2,3-dihydroindol-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone is CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCc4ccccc43)c2)CC1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone?
The InChIKey is CBLUNKVNKSMVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-22(2)34-28-13-6-5-12-27(28)31-18-16-30(17-19-31)21-23-8-7-10-25(20-23)29(33)32-15-14-24-9-3-4-11-26(24)32/h3-13,20,22H,14-19,21H2,1-2H3.
What are the key properties of 2,3-dihydroindol-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone?
2,3-dihydroindol-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone has a molecular weight of 455.60 g/mol, XLogP of 5.00, 6 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-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone is sourced from PubChem (CID 10718592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).