(5E,11Z)-14-chloro-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-14-chloro-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(17),5,13,15-tetraen-2-one

C75H100Cl2N6O12 — CID 123351133

About (5E,11Z)-14-chloro-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-14-chloro-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(17),5,13,15-tetraen-2-one

(5E,11Z)-14-chloro-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-14-chloro-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(17),5,13,15-tetraen-2-one (PubChem CID 123351133) has the molecular formula C75H100Cl2N6O12 and a molecular weight of 1348.56 g/mol. Its IUPAC name is (5E,11Z)-14-chloro-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-14-chloro-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(17),5,13,15-tetraen-2-one.

Molecular Properties

• Compound Name: (5E,11Z)-14-chloro-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-14-chloro-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(17),5,13,15-tetraen-2-one
• PubChem CID: 123351133
• Molecular Formula: C75H100Cl2N6O12
• Molecular Weight: 1348.56 g/mol
• Exact Mass: 1346.68
• IUPAC Name: (5E,11Z)-14-chloro-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-14-chloro-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(17),5,13,15-tetraen-2-one
• SMILES: Cc1cc(C)c2c(c1)C/C(=N/OCC(=O)N1CCCCC1)CCCC/C=C/COC2=O.Cc1cc(C)c2c(c1Cl)C/C(=N/OCC(=O)N1CCCCC1)CCCC/C=C/COC2=O.Cc1cc(C)c2c(c1Cl)C/C(=N\OCC(=O)N1CCCCC1)CCCC/C=C/COC2=O
• InChI: InChI=1S/2C25H33ClN2O4.C25H34N2O4/c2*1-18-15-19(2)24(26)21-16-20(27-32-17-22(29)28-12-8-6-9-13-28)11-7-4-3-5-10-14-31-25(30)23(18)21;1-19-15-20(2)24-21(16-19)17-22(11-7-4-3-5-10-14-30-25(24)29)26-31-18-23(28)27-12-8-6-9-13-27/h2*5,10,15H,3-4,6-9,11-14,16-17H2,1-2H3;5,10,15-16H,3-4,6-9,11-14,17-18H2,1-2H3/b10-5+,27-20+;10-5+,27-20-;10-5+,26-22+
• InChIKey: QUHDDNKTSBSCRX-WLRLVYBQSA-N
• XLogP: 14.86
• TPSA: 204.60 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1348.56
LogP ≤ 5	14.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5E,11Z)-14-chloro-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-14-chloro-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(17),5,13,15-tetraen-2-one?

The IUPAC name of (5E,11Z)-14-chloro-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-14-chloro-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(17),5,13,15-tetraen-2-one (CID 123351133) is (5E,11Z)-14-chloro-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-14-chloro-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(17),5,13,15-tetraen-2-one.

What is the SMILES notation for (5E,11Z)-14-chloro-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-14-chloro-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(17),5,13,15-tetraen-2-one?

The canonical SMILES for (5E,11Z)-14-chloro-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-14-chloro-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(17),5,13,15-tetraen-2-one is Cc1cc(C)c2c(c1)C/C(=N/OCC(=O)N1CCCCC1)CCCC/C=C/COC2=O.Cc1cc(C)c2c(c1Cl)C/C(=N/OCC(=O)N1CCCCC1)CCCC/C=C/COC2=O.Cc1cc(C)c2c(c1Cl)C/C(=N\OCC(=O)N1CCCCC1)CCCC/C=C/COC2=O.

What is the InChIKey of (5E,11Z)-14-chloro-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-14-chloro-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(17),5,13,15-tetraen-2-one?

The InChIKey is QUHDDNKTSBSCRX-WLRLVYBQSA-N. The full InChI is InChI=1S/2C25H33ClN2O4.C25H34N2O4/c2*1-18-15-19(2)24(26)21-16-20(27-32-17-22(29)28-12-8-6-9-13-28)11-7-4-3-5-10-14-31-25(30)23(18)21;1-19-15-20(2)24-21(16-19)17-22(11-7-4-3-5-10-14-30-25(24)29)26-31-18-23(28)27-12-8-6-9-13-27/h2*5,10,15H,3-4,6-9,11-14,16-17H2,1-2H3;5,10,15-16H,3-4,6-9,11-14,17-18H2,1-2H3/b10-5+,27-20+;10-5+,27-20-;10-5+,26-22+.

What are the key properties of (5E,11Z)-14-chloro-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-14-chloro-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(17),5,13,15-tetraen-2-one?

(5E,11Z)-14-chloro-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-14-chloro-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(17),5,13,15-tetraen-2-one has a molecular weight of 1348.56 g/mol, XLogP of 14.86, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (5E,11Z)-14-chloro-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-14-chloro-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-15,17-dimethyl-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(17),5,13,15-tetraen-2-one is sourced from PubChem (CID 123351133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).