2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-1-morpholin-4-ylethanone;hydrochloride

C34H40ClN3O2 — CID 69075774

IUPAC2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-1-morpholin-4-ylethanone;hydrochloride
SMILESCc1cccc(C)c1C1CCN(Cc2c(-c3ccccc3)n(CC(=O)N3CCOCC3)c3ccccc23)CC1.Cl
InChIInChI=1S/C34H39N3O2.ClH/c1-25-9-8-10-26(2)33(25)27-15-17-35(18-16-27)23-30-29-13-6-7-14-31(29)37(34(30)28-11-4-3-5-12-28)24-32(38)36-19-21-39-22-20-36;/h3-14,27H,15-24H2,1-2H3;1H
InChIKeyUTCIDROOENAPRS-UHFFFAOYSA-N
MW558.17 g/mol
LogP6.59
Rot. Bonds6

About 2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-1-morpholin-4-ylethanone;hydrochloride

2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-1-morpholin-4-ylethanone;hydrochloride (PubChem CID 69075774) has the molecular formula C34H40ClN3O2 and a molecular weight of 558.17 g/mol. Its IUPAC name is 2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-1-morpholin-4-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-1-morpholin-4-ylethanone;hydrochloride
PubChem CID69075774
Molecular FormulaC34H40ClN3O2
Molecular Weight558.17 g/mol
Exact Mass557.28
IUPAC Name2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-1-morpholin-4-ylethanone;hydrochloride
SMILESCc1cccc(C)c1C1CCN(Cc2c(-c3ccccc3)n(CC(=O)N3CCOCC3)c3ccccc23)CC1.Cl
InChIInChI=1S/C34H39N3O2.ClH/c1-25-9-8-10-26(2)33(25)27-15-17-35(18-16-27)23-30-29-13-6-7-14-31(29)37(34(30)28-11-4-3-5-12-28)24-32(38)36-19-21-39-22-20-36;/h3-14,27H,15-24H2,1-2H3;1H
InChIKeyUTCIDROOENAPRS-UHFFFAOYSA-N
XLogP6.59
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.17
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-1-morpholin-4-ylethanone;hydrochloride with MolForge

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Related Compounds

N-(1-acetylpiperidin-4-yl)-2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]acetamide
CID 69078033
2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 69076815
2-[4-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1H-indole-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone;dihydrochloride
CID 69075676
2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-(morpholine-4-carbonyl)indol-1-yl]-N-methylacetamide
CID 69071114
3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1-[(3-methylphenyl)methyl]-2-phenylindole;2,2,2-trifluoroacetic acid
CID 69437187
3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenyl-1-[(4-phenylphenyl)methyl]indole;2,2,2-trifluoroacetic acid
CID 69434952
1-morpholin-4-yl-2-(2-phenylbenzimidazol-1-yl)ethanone
CID 17000579
3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole;2,2,2-trifluoroacetic acid
CID 87832532
3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-N,N-dimethyl-1H-indole-2-carboxamide
CID 11620349
2-[3-cyclohexyl-2-[4-(2-fluoro-3-pyridinyl)phenyl]indol-1-yl]-1-morpholin-4-ylethanone
CID 141146536
[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1H-indol-2-yl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 69074498
[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1H-indol-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride
CID 69075153

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-1-morpholin-4-ylethanone;hydrochloride?
The IUPAC name of 2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-1-morpholin-4-ylethanone;hydrochloride (CID 69075774) is 2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-1-morpholin-4-ylethanone;hydrochloride.
What is the SMILES notation for 2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-1-morpholin-4-ylethanone;hydrochloride?
The canonical SMILES for 2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-1-morpholin-4-ylethanone;hydrochloride is Cc1cccc(C)c1C1CCN(Cc2c(-c3ccccc3)n(CC(=O)N3CCOCC3)c3ccccc23)CC1.Cl.
What is the InChIKey of 2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-1-morpholin-4-ylethanone;hydrochloride?
The InChIKey is UTCIDROOENAPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N3O2.ClH/c1-25-9-8-10-26(2)33(25)27-15-17-35(18-16-27)23-30-29-13-6-7-14-31(29)37(34(30)28-11-4-3-5-12-28)24-32(38)36-19-21-39-22-20-36;/h3-14,27H,15-24H2,1-2H3;1H.
What are the key properties of 2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-1-morpholin-4-ylethanone;hydrochloride?
2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-1-morpholin-4-ylethanone;hydrochloride has a molecular weight of 558.17 g/mol, XLogP of 6.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-1-morpholin-4-ylethanone;hydrochloride is sourced from PubChem (CID 69075774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).