[3-[[3,3-bis(4-methoxyphenyl)piperidin-1-yl]methyl]phenyl]-(2,3-dihydroindol-1-yl)methanone

C35H36N2O3 — CID 24964516

IUPAC[3-[[3,3-bis(4-methoxyphenyl)piperidin-1-yl]methyl]phenyl]-(2,3-dihydroindol-1-yl)methanone
SMILESCOc1ccc(C2(c3ccc(OC)cc3)CCCN(Cc3cccc(C(=O)N4CCc5ccccc54)c3)C2)cc1
InChIInChI=1S/C35H36N2O3/c1-39-31-15-11-29(12-16-31)35(30-13-17-32(40-2)18-14-30)20-6-21-36(25-35)24-26-7-5-9-28(23-26)34(38)37-22-19-27-8-3-4-10-33(27)37/h3-5,7-18,23H,6,19-22,24-25H2,1-2H3
InChIKeySJRINQLOCNKZLU-UHFFFAOYSA-N
MW532.68 g/mol
LogP6.49
Rot. Bonds7

About [3-[[3,3-bis(4-methoxyphenyl)piperidin-1-yl]methyl]phenyl]-(2,3-dihydroindol-1-yl)methanone

[3-[[3,3-bis(4-methoxyphenyl)piperidin-1-yl]methyl]phenyl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 24964516) has the molecular formula C35H36N2O3 and a molecular weight of 532.68 g/mol. Its IUPAC name is [3-[[3,3-bis(4-methoxyphenyl)piperidin-1-yl]methyl]phenyl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[3-[[3,3-bis(4-methoxyphenyl)piperidin-1-yl]methyl]phenyl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID24964516
Molecular FormulaC35H36N2O3
Molecular Weight532.68 g/mol
Exact Mass532.27
IUPAC Name[3-[[3,3-bis(4-methoxyphenyl)piperidin-1-yl]methyl]phenyl]-(2,3-dihydroindol-1-yl)methanone
SMILESCOc1ccc(C2(c3ccc(OC)cc3)CCCN(Cc3cccc(C(=O)N4CCc5ccccc54)c3)C2)cc1
InChIInChI=1S/C35H36N2O3/c1-39-31-15-11-29(12-16-31)35(30-13-17-32(40-2)18-14-30)20-6-21-36(25-35)24-26-7-5-9-28(23-26)34(38)37-22-19-27-8-3-4-10-33(27)37/h3-5,7-18,23H,6,19-22,24-25H2,1-2H3
InChIKeySJRINQLOCNKZLU-UHFFFAOYSA-N
XLogP6.49
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.68
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-[[3,3-bis(4-methoxyphenyl)piperidin-1-yl]methyl]phenyl]-(2,3-dihydroindol-1-yl)methanone with MolForge

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Related Compounds

lithium;3-[[3,3-bis(4-methoxyphenyl)piperidin-1-yl]methyl]benzoic acid;hydride
CID 173126199
[3-[[3,3-bis(4-methoxyphenyl)piperidin-1-yl]methyl]phenyl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 24965922
[3-[[3,3-bis(4-methoxyphenyl)piperidin-1-yl]methyl]phenyl]-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 24968768
(3-methoxyphenyl)-[9-[(4-methoxyphenyl)methyl]-2,9-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-yl]methanone
CID 110065030
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)benzamide
CID 109057134
2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone
CID 687165
[9-[(3,4-dimethoxyphenyl)methyl]-2,9-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-yl]-(3-methoxyphenyl)methanone
CID 133068036
4-[1-benzyl-3-(3-methoxyphenyl)piperidin-3-yl]-N,N-diethylbenzamide
CID 12968707
2,3-dihydroindol-1-yl-[3-[[4-[(3Z)-4-ethoxyhexa-1,3,5-trien-3-yl]piperazin-1-yl]methyl]phenyl]methanone
CID 143281099
2-[3-(7-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetic acid
CID 136552165
2,3-dihydroindol-1-yl-(3-phenylmethoxyphenyl)methanone
CID 8778658

Frequently Asked Questions

What is the IUPAC name of [3-[[3,3-bis(4-methoxyphenyl)piperidin-1-yl]methyl]phenyl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [3-[[3,3-bis(4-methoxyphenyl)piperidin-1-yl]methyl]phenyl]-(2,3-dihydroindol-1-yl)methanone (CID 24964516) is [3-[[3,3-bis(4-methoxyphenyl)piperidin-1-yl]methyl]phenyl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [3-[[3,3-bis(4-methoxyphenyl)piperidin-1-yl]methyl]phenyl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [3-[[3,3-bis(4-methoxyphenyl)piperidin-1-yl]methyl]phenyl]-(2,3-dihydroindol-1-yl)methanone is COc1ccc(C2(c3ccc(OC)cc3)CCCN(Cc3cccc(C(=O)N4CCc5ccccc54)c3)C2)cc1.
What is the InChIKey of [3-[[3,3-bis(4-methoxyphenyl)piperidin-1-yl]methyl]phenyl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is SJRINQLOCNKZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N2O3/c1-39-31-15-11-29(12-16-31)35(30-13-17-32(40-2)18-14-30)20-6-21-36(25-35)24-26-7-5-9-28(23-26)34(38)37-22-19-27-8-3-4-10-33(27)37/h3-5,7-18,23H,6,19-22,24-25H2,1-2H3.
What are the key properties of [3-[[3,3-bis(4-methoxyphenyl)piperidin-1-yl]methyl]phenyl]-(2,3-dihydroindol-1-yl)methanone?
[3-[[3,3-bis(4-methoxyphenyl)piperidin-1-yl]methyl]phenyl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 532.68 g/mol, XLogP of 6.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3,3-bis(4-methoxyphenyl)piperidin-1-yl]methyl]phenyl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 24964516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).