6-[6-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]hexyl]pyridine-3-carboxamide

C45H50F3N7O6 — CID 140860706

IUPAC6-[6-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]hexyl]pyridine-3-carboxamide
SMILESCC1(C)C(Oc2ccc(C#N)c(C(F)(F)F)c2)C(C)(C)C1N1C(=O)CCC(N2C(=O)c3ccc(N4CCN(CCCCCCc5ccc(C(N)=O)cn5)CC4)cc3C2=O)C1=O
InChIInChI=1S/C45H50F3N7O6/c1-43(2)41(44(3,4)42(43)61-31-14-11-27(25-49)34(24-31)45(46,47)48)55-36(56)17-16-35(40(55)60)54-38(58)32-15-13-30(23-33(32)39(54)59)53-21-19-52(20-22-53)18-8-6-5-7-9-29-12-10-28(26-51-29)37(50)57/h10-15,23-24,26,35,41-42H,5-9,16-22H2,1-4H3,(H2,50,57)
InChIKeyNEKDTPHNDWULHL-UHFFFAOYSA-N
MW841.93 g/mol
LogP5.99
Rot. Bonds13

About 6-[6-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]hexyl]pyridine-3-carboxamide

6-[6-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]hexyl]pyridine-3-carboxamide (PubChem CID 140860706) has the molecular formula C45H50F3N7O6 and a molecular weight of 841.93 g/mol. Its IUPAC name is 6-[6-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]hexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[6-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]hexyl]pyridine-3-carboxamide
PubChem CID140860706
Molecular FormulaC45H50F3N7O6
Molecular Weight841.93 g/mol
Exact Mass841.38
IUPAC Name6-[6-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]hexyl]pyridine-3-carboxamide
SMILESCC1(C)C(Oc2ccc(C#N)c(C(F)(F)F)c2)C(C)(C)C1N1C(=O)CCC(N2C(=O)c3ccc(N4CCN(CCCCCCc5ccc(C(N)=O)cn5)CC4)cc3C2=O)C1=O
InChIInChI=1S/C45H50F3N7O6/c1-43(2)41(44(3,4)42(43)61-31-14-11-27(25-49)34(24-31)45(46,47)48)55-36(56)17-16-35(40(55)60)54-38(58)32-15-13-30(23-33(32)39(54)59)53-21-19-52(20-22-53)18-8-6-5-7-9-29-12-10-28(26-51-29)37(50)57/h10-15,23-24,26,35,41-42H,5-9,16-22H2,1-4H3,(H2,50,57)
InChIKeyNEKDTPHNDWULHL-UHFFFAOYSA-N
XLogP5.99
TPSA170.24 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.93
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6-[6-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]hexyl]pyridine-3-carboxamide with MolForge

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Related Compounds

6-(4-(4-cyanophenoxy) piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide
CID 66710640
5-(4-(4-(methylsulfonyl)phenoxy)piperidine-1-carbonyl)-N-(1-(3-(trifluoromethoxy)benzyl)piperidin-4-yl)picolinamide
CID 146676202
3-[6-[7-[[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 154672342
N-[3-(3,4-dicyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperazin-1-yl]pyridine-3-carboxamide
CID 146432838
N-[3-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]benzamide
CID 162439016
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]butyl]pyridine-3-carboxamide
CID 168285886
6-(4-(4-(methylsulfonyl)phenoxy)piperidine-1-carbonyl)-N-(1-(3-(trifluoromethoxy)benzyl)piperidin-4-yl)nicotinamide
CID 146676200
N-(1-(4-isopropoxybenzyl) piperidin-4-yl)-6-(4-(4-(pyrrolidin-1-yl)benzoyl)piperidine-1-carbonyl)nicotinamide
CID 66710454
5-(4-(4-cyanophenoxy) piperidine-1-carbonyl)-N-(1-(4-(pyrrolidin-1-yl)benzyl)piperidin-4-yl)picolinamide
CID 66710541
6-(4-(4-cyanophenoxy) piperidine-1-carbonyl)-N-(1-(4-(pyrrolidin-1-yl)benzyl)piperidin-4-yl)nicotinamide
CID 66710563
N-((cis)-4-(4-cyanophenoxy)cyclohexyl)-6-(4-(4-(pyrrolidin-1-yl)benzoyl)piperidine-1-carbonyl)nicotinamide
CID 66710659
3-[5-[7-[[3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 154672020

Frequently Asked Questions

What is the IUPAC name of 6-[6-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]hexyl]pyridine-3-carboxamide?
The IUPAC name of 6-[6-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]hexyl]pyridine-3-carboxamide (CID 140860706) is 6-[6-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]hexyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[6-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]hexyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[6-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]hexyl]pyridine-3-carboxamide is CC1(C)C(Oc2ccc(C#N)c(C(F)(F)F)c2)C(C)(C)C1N1C(=O)CCC(N2C(=O)c3ccc(N4CCN(CCCCCCc5ccc(C(N)=O)cn5)CC4)cc3C2=O)C1=O.
What is the InChIKey of 6-[6-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]hexyl]pyridine-3-carboxamide?
The InChIKey is NEKDTPHNDWULHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H50F3N7O6/c1-43(2)41(44(3,4)42(43)61-31-14-11-27(25-49)34(24-31)45(46,47)48)55-36(56)17-16-35(40(55)60)54-38(58)32-15-13-30(23-33(32)39(54)59)53-21-19-52(20-22-53)18-8-6-5-7-9-29-12-10-28(26-51-29)37(50)57/h10-15,23-24,26,35,41-42H,5-9,16-22H2,1-4H3,(H2,50,57).
What are the key properties of 6-[6-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]hexyl]pyridine-3-carboxamide?
6-[6-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]hexyl]pyridine-3-carboxamide has a molecular weight of 841.93 g/mol, XLogP of 5.99, 13 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]hexyl]pyridine-3-carboxamide is sourced from PubChem (CID 140860706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).