butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;butyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-pyridin-4-ylethyl]-4-phenylpentanoate;4-ethenylpyridine

C68H100N4O8 — CID 157070753

IUPACbutyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;butyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-pyridin-4-ylethyl]-4-phenylpentanoate;4-ethenylpyridine
SMILESC=Cc1ccncc1.CCCCOC(=O)C(CC(C)c1ccccc1)CC(ON1C(C)(CC)CC(=O)C(C)C1(C)CC)c1ccncc1.CCCCOC(=O)C(CC(C)c1ccccc1)ON1C(C)(CC)CC(=O)C(C)C1(C)CC
InChIInChI=1S/C34H50N2O4.C27H43NO4.C7H7N/c1-8-11-21-39-32(38)29(22-25(4)27-15-13-12-14-16-27)23-31(28-17-19-35-20-18-28)40-36-33(6,9-2)24-30(37)26(5)34(36,7)10-3;1-8-11-17-31-25(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;1-2-7-3-5-8-6-4-7/h12-20,25-26,29,31H,8-11,21-24H2,1-7H3;12-16,20-21,24H,8-11,17-19H2,1-7H3;2-6H,1H2
InChIKeyACKCETDTYWMUJE-UHFFFAOYSA-N
MW1101.57 g/mol
LogP15.64
Rot. Bonds26

About butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;butyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-pyridin-4-ylethyl]-4-phenylpentanoate;4-ethenylpyridine

butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;butyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-pyridin-4-ylethyl]-4-phenylpentanoate;4-ethenylpyridine (PubChem CID 157070753) has the molecular formula C68H100N4O8 and a molecular weight of 1101.57 g/mol. Its IUPAC name is butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;butyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-pyridin-4-ylethyl]-4-phenylpentanoate;4-ethenylpyridine.

Molecular Properties

Compound Namebutyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;butyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-pyridin-4-ylethyl]-4-phenylpentanoate;4-ethenylpyridine
PubChem CID157070753
Molecular FormulaC68H100N4O8
Molecular Weight1101.57 g/mol
Exact Mass1100.75
IUPAC Namebutyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;butyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-pyridin-4-ylethyl]-4-phenylpentanoate;4-ethenylpyridine
SMILESC=Cc1ccncc1.CCCCOC(=O)C(CC(C)c1ccccc1)CC(ON1C(C)(CC)CC(=O)C(C)C1(C)CC)c1ccncc1.CCCCOC(=O)C(CC(C)c1ccccc1)ON1C(C)(CC)CC(=O)C(C)C1(C)CC
InChIInChI=1S/C34H50N2O4.C27H43NO4.C7H7N/c1-8-11-21-39-32(38)29(22-25(4)27-15-13-12-14-16-27)23-31(28-17-19-35-20-18-28)40-36-33(6,9-2)24-30(37)26(5)34(36,7)10-3;1-8-11-17-31-25(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;1-2-7-3-5-8-6-4-7/h12-20,25-26,29,31H,8-11,21-24H2,1-7H3;12-16,20-21,24H,8-11,17-19H2,1-7H3;2-6H,1H2
InChIKeyACKCETDTYWMUJE-UHFFFAOYSA-N
XLogP15.64
TPSA137.46 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001101.57
LogP ≤ 515.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;butyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-pyridin-4-ylethyl]-4-phenylpentanoate;4-ethenylpyridine with MolForge

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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 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-pyridin-4-ylethyl]-4-phenylpentanoate;4-ethenylpyridine?
The IUPAC name of butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;butyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-pyridin-4-ylethyl]-4-phenylpentanoate;4-ethenylpyridine (CID 157070753) is butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;butyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-pyridin-4-ylethyl]-4-phenylpentanoate;4-ethenylpyridine.
What is the SMILES notation for butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;butyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-pyridin-4-ylethyl]-4-phenylpentanoate;4-ethenylpyridine?
The canonical SMILES for butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;butyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-pyridin-4-ylethyl]-4-phenylpentanoate;4-ethenylpyridine is C=Cc1ccncc1.CCCCOC(=O)C(CC(C)c1ccccc1)CC(ON1C(C)(CC)CC(=O)C(C)C1(C)CC)c1ccncc1.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 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-pyridin-4-ylethyl]-4-phenylpentanoate;4-ethenylpyridine?
The InChIKey is ACKCETDTYWMUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50N2O4.C27H43NO4.C7H7N/c1-8-11-21-39-32(38)29(22-25(4)27-15-13-12-14-16-27)23-31(28-17-19-35-20-18-28)40-36-33(6,9-2)24-30(37)26(5)34(36,7)10-3;1-8-11-17-31-25(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;1-2-7-3-5-8-6-4-7/h12-20,25-26,29,31H,8-11,21-24H2,1-7H3;12-16,20-21,24H,8-11,17-19H2,1-7H3;2-6H,1H2.
What are the key properties of butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;butyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-pyridin-4-ylethyl]-4-phenylpentanoate;4-ethenylpyridine?
butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;butyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-pyridin-4-ylethyl]-4-phenylpentanoate;4-ethenylpyridine has a molecular weight of 1101.57 g/mol, XLogP of 15.64, 26 rotatable bonds, 0 hydrogen bond donors, and 12 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 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-pyridin-4-ylethyl]-4-phenylpentanoate;4-ethenylpyridine is sourced from PubChem (CID 157070753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).