N,1-dimethylpiperidin-4-amine;6-methoxy-2-[[3-[(1-methylpiperidin-4-yl)amino]-5-(trifluoromethoxy)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one

C35H50F3N5O4 — CID 144806742

IUPACN,1-dimethylpiperidin-4-amine;6-methoxy-2-[[3-[(1-methylpiperidin-4-yl)amino]-5-(trifluoromethoxy)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one
SMILESCNC1CCN(C)CC1.COc1cc2c(cc1N1CCOCC1)CC(Cc1cc(NC3CCN(C)CC3)cc(OC(F)(F)F)c1)C2=O
InChIInChI=1S/C28H34F3N3O4.C7H16N2/c1-33-5-3-21(4-6-33)32-22-12-18(13-23(16-22)38-28(29,30)31)11-20-14-19-15-25(34-7-9-37-10-8-34)26(36-2)17-24(19)27(20)35;1-8-7-3-5-9(2)6-4-7/h12-13,15-17,20-21,32H,3-11,14H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyFVEOPLSPSAGKHE-UHFFFAOYSA-N
MW661.81 g/mol
LogP4.83
Rot. Bonds8

About N,1-dimethylpiperidin-4-amine;6-methoxy-2-[[3-[(1-methylpiperidin-4-yl)amino]-5-(trifluoromethoxy)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one

N,1-dimethylpiperidin-4-amine;6-methoxy-2-[[3-[(1-methylpiperidin-4-yl)amino]-5-(trifluoromethoxy)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one (PubChem CID 144806742) has the molecular formula C35H50F3N5O4 and a molecular weight of 661.81 g/mol. Its IUPAC name is N,1-dimethylpiperidin-4-amine;6-methoxy-2-[[3-[(1-methylpiperidin-4-yl)amino]-5-(trifluoromethoxy)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one.

Molecular Properties

Compound NameN,1-dimethylpiperidin-4-amine;6-methoxy-2-[[3-[(1-methylpiperidin-4-yl)amino]-5-(trifluoromethoxy)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one
PubChem CID144806742
Molecular FormulaC35H50F3N5O4
Molecular Weight661.81 g/mol
Exact Mass661.38
IUPAC NameN,1-dimethylpiperidin-4-amine;6-methoxy-2-[[3-[(1-methylpiperidin-4-yl)amino]-5-(trifluoromethoxy)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one
SMILESCNC1CCN(C)CC1.COc1cc2c(cc1N1CCOCC1)CC(Cc1cc(NC3CCN(C)CC3)cc(OC(F)(F)F)c1)C2=O
InChIInChI=1S/C28H34F3N3O4.C7H16N2/c1-33-5-3-21(4-6-33)32-22-12-18(13-23(16-22)38-28(29,30)31)11-20-14-19-15-25(34-7-9-37-10-8-34)26(36-2)17-24(19)27(20)35;1-8-7-3-5-9(2)6-4-7/h12-13,15-17,20-21,32H,3-11,14H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyFVEOPLSPSAGKHE-UHFFFAOYSA-N
XLogP4.83
TPSA78.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500661.81
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N,1-dimethylpiperidin-4-amine;6-methoxy-2-[[3-[(1-methylpiperidin-4-yl)amino]-5-(trifluoromethoxy)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one with MolForge

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Related Compounds

6-methoxy-2-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one
CID 122429138
6-methoxy-5-morpholin-4-yl-2-[(3E,5E)-7,7,7-trifluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylhepta-3,5-dienyl]-2,3-dihydroinden-1-one
CID 154986868
5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridine-3-carbaldehyde;(2E)-2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methylidene]-6-methoxy-5-morpholin-4-yl-3H-inden-1-one;2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one
CID 160900407
2,4-difluorobenzaldehyde;(2E)-2-[(2,4-difluorophenyl)methylidene]-6-methoxy-5-morpholin-4-yl-3H-inden-1-one;2-[(2,4-difluorophenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one
CID 157271742
5-chloro-2-methylbenzaldehyde;(2E)-2-[(5-chloro-2-methylphenyl)methylidene]-6-methoxy-5-morpholin-4-yl-3H-inden-1-one;2-[(5-chloro-2-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one
CID 159213980
4-[7-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2,1-benzoxathiin-6-yl]morpholine
CID 146510812
2-benzyl-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 10902071
N-(3-fluoro-5-methoxyphenyl)-1-methylpiperidin-4-amine
CID 113347233
5,6-dimethoxy-2-(1-methylpiperidin-4-yl)-2,3-dihydroinden-1-one
CID 22311400
N-methyl-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline
CID 164584084
1-cyclohexyl-3-[3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl]urea
CID 138612691
2-[[2-chloro-5-(trifluoromethyl)phenyl]methylidene]-6-methoxy-5-morpholin-4-yl-3H-inden-1-one
CID 123563564

Frequently Asked Questions

What is the IUPAC name of N,1-dimethylpiperidin-4-amine;6-methoxy-2-[[3-[(1-methylpiperidin-4-yl)amino]-5-(trifluoromethoxy)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one?
The IUPAC name of N,1-dimethylpiperidin-4-amine;6-methoxy-2-[[3-[(1-methylpiperidin-4-yl)amino]-5-(trifluoromethoxy)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one (CID 144806742) is N,1-dimethylpiperidin-4-amine;6-methoxy-2-[[3-[(1-methylpiperidin-4-yl)amino]-5-(trifluoromethoxy)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one.
What is the SMILES notation for N,1-dimethylpiperidin-4-amine;6-methoxy-2-[[3-[(1-methylpiperidin-4-yl)amino]-5-(trifluoromethoxy)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one?
The canonical SMILES for N,1-dimethylpiperidin-4-amine;6-methoxy-2-[[3-[(1-methylpiperidin-4-yl)amino]-5-(trifluoromethoxy)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one is CNC1CCN(C)CC1.COc1cc2c(cc1N1CCOCC1)CC(Cc1cc(NC3CCN(C)CC3)cc(OC(F)(F)F)c1)C2=O.
What is the InChIKey of N,1-dimethylpiperidin-4-amine;6-methoxy-2-[[3-[(1-methylpiperidin-4-yl)amino]-5-(trifluoromethoxy)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one?
The InChIKey is FVEOPLSPSAGKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F3N3O4.C7H16N2/c1-33-5-3-21(4-6-33)32-22-12-18(13-23(16-22)38-28(29,30)31)11-20-14-19-15-25(34-7-9-37-10-8-34)26(36-2)17-24(19)27(20)35;1-8-7-3-5-9(2)6-4-7/h12-13,15-17,20-21,32H,3-11,14H2,1-2H3;7-8H,3-6H2,1-2H3.
What are the key properties of N,1-dimethylpiperidin-4-amine;6-methoxy-2-[[3-[(1-methylpiperidin-4-yl)amino]-5-(trifluoromethoxy)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one?
N,1-dimethylpiperidin-4-amine;6-methoxy-2-[[3-[(1-methylpiperidin-4-yl)amino]-5-(trifluoromethoxy)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one has a molecular weight of 661.81 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethylpiperidin-4-amine;6-methoxy-2-[[3-[(1-methylpiperidin-4-yl)amino]-5-(trifluoromethoxy)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one is sourced from PubChem (CID 144806742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).