butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;butyl prop-2-enoate;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one;methane

C55H90N2O8 — CID 162165990

IUPACbutyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;butyl prop-2-enoate;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one;methane
SMILESC.C=CC(=O)OCCCC.CCC1(C)CC(=O)C(C)C(C)(CC)N1OC(C)c1ccccc1.CCCCOC(=O)C(CC(C)c1ccccc1)ON1C(C)(CC)CC(=O)C(C)C1(C)CC
InChIInChI=1S/C27H43NO4.C20H31NO2.C7H12O2.CH4/c1-8-11-17-31-25(30)24(18-20(4)22-15-13-12-14-16-22)32-28-26(6,9-2)19-23(29)21(5)27(28,7)10-3;1-7-19(5)14-18(22)15(3)20(6,8-2)21(19)23-16(4)17-12-10-9-11-13-17;1-3-5-6-9-7(8)4-2;/h12-16,20-21,24H,8-11,17-19H2,1-7H3;9-13,15-16H,7-8,14H2,1-6H3;4H,2-3,5-6H2,1H3;1H4
InChIKeyZNDCLSHHBISMDX-UHFFFAOYSA-N
MW907.33 g/mol
LogP13.15
Rot. Bonds20

About butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;butyl prop-2-enoate;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one;methane

butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;butyl prop-2-enoate;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one;methane (PubChem CID 162165990) has the molecular formula C55H90N2O8 and a molecular weight of 907.33 g/mol. Its IUPAC name is butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;butyl prop-2-enoate;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one;methane.

Molecular Properties

Compound Namebutyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;butyl prop-2-enoate;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one;methane
PubChem CID162165990
Molecular FormulaC55H90N2O8
Molecular Weight907.33 g/mol
Exact Mass906.67
IUPAC Namebutyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;butyl prop-2-enoate;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one;methane
SMILESC.C=CC(=O)OCCCC.CCC1(C)CC(=O)C(C)C(C)(CC)N1OC(C)c1ccccc1.CCCCOC(=O)C(CC(C)c1ccccc1)ON1C(C)(CC)CC(=O)C(C)C1(C)CC
InChIInChI=1S/C27H43NO4.C20H31NO2.C7H12O2.CH4/c1-8-11-17-31-25(30)24(18-20(4)22-15-13-12-14-16-22)32-28-26(6,9-2)19-23(29)21(5)27(28,7)10-3;1-7-19(5)14-18(22)15(3)20(6,8-2)21(19)23-16(4)17-12-10-9-11-13-17;1-3-5-6-9-7(8)4-2;/h12-16,20-21,24H,8-11,17-19H2,1-7H3;9-13,15-16H,7-8,14H2,1-6H3;4H,2-3,5-6H2,1H3;1H4
InChIKeyZNDCLSHHBISMDX-UHFFFAOYSA-N
XLogP13.15
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.33
LogP ≤ 513.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;butyl prop-2-enoate;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one;methane with MolForge

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Related Compounds

1-O-butyl 5-O-(3,3,4,4,4-pentafluorobutyl) 4-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(2-phenylpropyl)pentanedioate;butyl prop-2-enoate;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one;3,3,4,4,4-pentafluorobutyl prop-2-enoate
CID 159885526
butyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(4-hydroxybutoxy)ethyl]-4-phenylpentanoate;butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;4-ethenoxybutan-1-ol
CID 159097604
5-O-butyl 3-O-propyl 1-O-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) 1-(6-ethyl-2,2,3,6-tetramethyl-4-oxopiperidin-1-yl)oxy-7-phenyloctane-1,3,5-tricarboxylate
CID 58150305
5-O-butyl 1-O-(2,2,3,3,3-pentafluoropropyl) 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-methyl-4-(2-phenylpropyl)pentanedioate
CID 58150304
1-O-dodecyl 7-O-(2-hydroxyethyl) 6-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-2-(2,2-dimethyl-3-phenylbutyl)-3,3,4,4-tetramethylheptanedioate
CID 143820320
2,6-diethyl-N-methoxy-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-imine
CID 73446136
2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ol
CID 22341851
2-ethylhexyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-4,4-dimethyl-5-phenylhexanoate
CID 143820323
2-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]oxy-2-oxoacetic acid
CID 141020106
6-[[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]amino]-6-oxohexanoic acid
CID 21361380
1-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-3,4-dimethylpyrrole-2,5-dione
CID 22992818
methyl 2-[[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]amino]-2-oxoacetate
CID 21361395

Frequently Asked Questions

What is the IUPAC name of butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;butyl prop-2-enoate;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one;methane?
The IUPAC name of butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;butyl prop-2-enoate;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one;methane (CID 162165990) is butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;butyl prop-2-enoate;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one;methane.
What is the SMILES notation for butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;butyl prop-2-enoate;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one;methane?
The canonical SMILES for butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;butyl prop-2-enoate;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one;methane is C.C=CC(=O)OCCCC.CCC1(C)CC(=O)C(C)C(C)(CC)N1OC(C)c1ccccc1.CCCCOC(=O)C(CC(C)c1ccccc1)ON1C(C)(CC)CC(=O)C(C)C1(C)CC.
What is the InChIKey of butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;butyl prop-2-enoate;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one;methane?
The InChIKey is ZNDCLSHHBISMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43NO4.C20H31NO2.C7H12O2.CH4/c1-8-11-17-31-25(30)24(18-20(4)22-15-13-12-14-16-22)32-28-26(6,9-2)19-23(29)21(5)27(28,7)10-3;1-7-19(5)14-18(22)15(3)20(6,8-2)21(19)23-16(4)17-12-10-9-11-13-17;1-3-5-6-9-7(8)4-2;/h12-16,20-21,24H,8-11,17-19H2,1-7H3;9-13,15-16H,7-8,14H2,1-6H3;4H,2-3,5-6H2,1H3;1H4.
What are the key properties of butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;butyl prop-2-enoate;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one;methane?
butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;butyl prop-2-enoate;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one;methane has a molecular weight of 907.33 g/mol, XLogP of 13.15, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;butyl prop-2-enoate;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one;methane is sourced from PubChem (CID 162165990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).