ethane;methane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phosphane;3-methyl-3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-methyl-3-[3-oxo-6-(1-phosphanylpiperidin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione

C45H68N6O6P2 — CID 161311832

IUPACethane;methane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phosphane;3-methyl-3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-methyl-3-[3-oxo-6-(1-phosphanylpiperidin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESC.CC.CC.CC1(N2Cc3cc(C4CCN(P)CC4)ccc3C2=O)CCC(=O)NC1=O.CC1=CCN(P)CC1.Cc1ccc2c(c1)CN(C1(C)CCC(=O)NC1=O)C2=O
InChIInChI=1S/C19H24N3O3P.C15H16N2O3.C6H12NP.2C2H6.CH4/c1-19(7-4-16(23)20-18(19)25)22-11-14-10-13(2-3-15(14)17(22)24)12-5-8-21(26)9-6-12;1-9-3-4-11-10(7-9)8-17(13(11)19)15(2)6-5-12(18)16-14(15)20;1-6-2-4-7(8)5-3-6;2*1-2;/h2-3,10,12H,4-9,11,26H2,1H3,(H,20,23,25);3-4,7H,5-6,8H2,1-2H3,(H,16,18,20);2H,3-5,8H2,1H3;2*1-2H3;1H4
InChIKeyVIZLKZIXZVLBAT-UHFFFAOYSA-N
MW851.02 g/mol
LogP7.07
Rot. Bonds3

About ethane;methane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phosphane;3-methyl-3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-methyl-3-[3-oxo-6-(1-phosphanylpiperidin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione

ethane;methane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phosphane;3-methyl-3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-methyl-3-[3-oxo-6-(1-phosphanylpiperidin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 161311832) has the molecular formula C45H68N6O6P2 and a molecular weight of 851.02 g/mol. Its IUPAC name is ethane;methane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phosphane;3-methyl-3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-methyl-3-[3-oxo-6-(1-phosphanylpiperidin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Nameethane;methane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phosphane;3-methyl-3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-methyl-3-[3-oxo-6-(1-phosphanylpiperidin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID161311832
Molecular FormulaC45H68N6O6P2
Molecular Weight851.02 g/mol
Exact Mass850.47
IUPAC Nameethane;methane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phosphane;3-methyl-3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-methyl-3-[3-oxo-6-(1-phosphanylpiperidin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESC.CC.CC.CC1(N2Cc3cc(C4CCN(P)CC4)ccc3C2=O)CCC(=O)NC1=O.CC1=CCN(P)CC1.Cc1ccc2c(c1)CN(C1(C)CCC(=O)NC1=O)C2=O
InChIInChI=1S/C19H24N3O3P.C15H16N2O3.C6H12NP.2C2H6.CH4/c1-19(7-4-16(23)20-18(19)25)22-11-14-10-13(2-3-15(14)17(22)24)12-5-8-21(26)9-6-12;1-9-3-4-11-10(7-9)8-17(13(11)19)15(2)6-5-12(18)16-14(15)20;1-6-2-4-7(8)5-3-6;2*1-2;/h2-3,10,12H,4-9,11,26H2,1H3,(H,20,23,25);3-4,7H,5-6,8H2,1-2H3,(H,16,18,20);2H,3-5,8H2,1H3;2*1-2H3;1H4
InChIKeyVIZLKZIXZVLBAT-UHFFFAOYSA-N
XLogP7.07
TPSA139.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.02
LogP ≤ 57.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethane;methane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phosphane;3-methyl-3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-methyl-3-[3-oxo-6-(1-phosphanylpiperidin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

ethane;3-methyl-3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-methyl-3-[3-oxo-6-(1-phosphanylpiperidin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione;(1-phosphanyl-3,6-dihydro-2H-pyridin-4-yl) 4-methylbenzenesulfonate
CID 160766577
ethane;3-methyl-3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 163268043
tert-butyl 4-[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate
CID 134582897
3-methyl-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione
CID 164919881
(3R)-3-methyl-3-[6-(1-methyl-5-phenylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075862
3-[6-[1-[(2,6-dimethylphenyl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 138577793
ethane;5-methyl-2-(oxan-4-yl)-3H-isoindol-1-one
CID 145338817
1-[[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-3-(4-pyridin-4-ylphenyl)urea
CID 91303118
(3R)-3-[6-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166778594
5-methyl-2-(oxan-4-yl)-3H-isoindol-1-one
CID 145338818
ethane;N-[(1-methylcyclopropyl)methyl]cyclohexanamine;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 169190823
3-[3-oxo-6-[1-(piperidine-4-carbonyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 172590709

Frequently Asked Questions

What is the IUPAC name of ethane;methane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phosphane;3-methyl-3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-methyl-3-[3-oxo-6-(1-phosphanylpiperidin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of ethane;methane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phosphane;3-methyl-3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-methyl-3-[3-oxo-6-(1-phosphanylpiperidin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione (CID 161311832) is ethane;methane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phosphane;3-methyl-3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-methyl-3-[3-oxo-6-(1-phosphanylpiperidin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for ethane;methane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phosphane;3-methyl-3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-methyl-3-[3-oxo-6-(1-phosphanylpiperidin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for ethane;methane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phosphane;3-methyl-3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-methyl-3-[3-oxo-6-(1-phosphanylpiperidin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione is C.CC.CC.CC1(N2Cc3cc(C4CCN(P)CC4)ccc3C2=O)CCC(=O)NC1=O.CC1=CCN(P)CC1.Cc1ccc2c(c1)CN(C1(C)CCC(=O)NC1=O)C2=O.
What is the InChIKey of ethane;methane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phosphane;3-methyl-3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-methyl-3-[3-oxo-6-(1-phosphanylpiperidin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is VIZLKZIXZVLBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N3O3P.C15H16N2O3.C6H12NP.2C2H6.CH4/c1-19(7-4-16(23)20-18(19)25)22-11-14-10-13(2-3-15(14)17(22)24)12-5-8-21(26)9-6-12;1-9-3-4-11-10(7-9)8-17(13(11)19)15(2)6-5-12(18)16-14(15)20;1-6-2-4-7(8)5-3-6;2*1-2;/h2-3,10,12H,4-9,11,26H2,1H3,(H,20,23,25);3-4,7H,5-6,8H2,1-2H3,(H,16,18,20);2H,3-5,8H2,1H3;2*1-2H3;1H4.
What are the key properties of ethane;methane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phosphane;3-methyl-3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-methyl-3-[3-oxo-6-(1-phosphanylpiperidin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione?
ethane;methane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phosphane;3-methyl-3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-methyl-3-[3-oxo-6-(1-phosphanylpiperidin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 851.02 g/mol, XLogP of 7.07, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phosphane;3-methyl-3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-methyl-3-[3-oxo-6-(1-phosphanylpiperidin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 161311832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).