1-(5-methoxy-3-methylcycloocta-2,4-diene-1-carbonyl)piperidin-4-one

C16H23NO3 — CID 91376989

IUPAC1-(5-methoxy-3-methylcycloocta-2,4-diene-1-carbonyl)piperidin-4-one
SMILESCOC1=CC(C)=CC(C(=O)N2CCC(=O)CC2)CCC1
InChIInChI=1S/C16H23NO3/c1-12-10-13(4-3-5-15(11-12)20-2)16(19)17-8-6-14(18)7-9-17/h10-11,13H,3-9H2,1-2H3
InChIKeyDOEBLXRCKGLYLX-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.45
Rot. Bonds2

About 1-(5-methoxy-3-methylcycloocta-2,4-diene-1-carbonyl)piperidin-4-one

1-(5-methoxy-3-methylcycloocta-2,4-diene-1-carbonyl)piperidin-4-one (PubChem CID 91376989) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-(5-methoxy-3-methylcycloocta-2,4-diene-1-carbonyl)piperidin-4-one.

Molecular Properties

Compound Name1-(5-methoxy-3-methylcycloocta-2,4-diene-1-carbonyl)piperidin-4-one
PubChem CID91376989
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-(5-methoxy-3-methylcycloocta-2,4-diene-1-carbonyl)piperidin-4-one
SMILESCOC1=CC(C)=CC(C(=O)N2CCC(=O)CC2)CCC1
InChIInChI=1S/C16H23NO3/c1-12-10-13(4-3-5-15(11-12)20-2)16(19)17-8-6-14(18)7-9-17/h10-11,13H,3-9H2,1-2H3
InChIKeyDOEBLXRCKGLYLX-UHFFFAOYSA-N
XLogP2.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-3-methylcycloocta-2,4-diene-1-carbonyl)piperidin-4-one?
The IUPAC name of 1-(5-methoxy-3-methylcycloocta-2,4-diene-1-carbonyl)piperidin-4-one (CID 91376989) is 1-(5-methoxy-3-methylcycloocta-2,4-diene-1-carbonyl)piperidin-4-one.
What is the SMILES notation for 1-(5-methoxy-3-methylcycloocta-2,4-diene-1-carbonyl)piperidin-4-one?
The canonical SMILES for 1-(5-methoxy-3-methylcycloocta-2,4-diene-1-carbonyl)piperidin-4-one is COC1=CC(C)=CC(C(=O)N2CCC(=O)CC2)CCC1.
What is the InChIKey of 1-(5-methoxy-3-methylcycloocta-2,4-diene-1-carbonyl)piperidin-4-one?
The InChIKey is DOEBLXRCKGLYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12-10-13(4-3-5-15(11-12)20-2)16(19)17-8-6-14(18)7-9-17/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 1-(5-methoxy-3-methylcycloocta-2,4-diene-1-carbonyl)piperidin-4-one?
1-(5-methoxy-3-methylcycloocta-2,4-diene-1-carbonyl)piperidin-4-one has a molecular weight of 277.36 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-3-methylcycloocta-2,4-diene-1-carbonyl)piperidin-4-one is sourced from PubChem (CID 91376989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).