1-[(2-methoxyphenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one

C18H24N2O4 — CID 24817626

IUPAC1-[(2-methoxyphenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one
SMILESCOc1ccccc1CN1CC(C(=O)N2CCCCO2)CCC1=O
InChIInChI=1S/C18H24N2O4/c1-23-16-7-3-2-6-14(16)12-19-13-15(8-9-17(19)21)18(22)20-10-4-5-11-24-20/h2-3,6-7,15H,4-5,8-13H2,1H3
InChIKeyHGMUCXYYFSETNK-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.99
Rot. Bonds4

About 1-[(2-methoxyphenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one

1-[(2-methoxyphenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one (PubChem CID 24817626) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one
PubChem CID24817626
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name1-[(2-methoxyphenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one
SMILESCOc1ccccc1CN1CC(C(=O)N2CCCCO2)CCC1=O
InChIInChI=1S/C18H24N2O4/c1-23-16-7-3-2-6-14(16)12-19-13-15(8-9-17(19)21)18(22)20-10-4-5-11-24-20/h2-3,6-7,15H,4-5,8-13H2,1H3
InChIKeyHGMUCXYYFSETNK-UHFFFAOYSA-N
XLogP1.99
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one (CID 24817626) is 1-[(2-methoxyphenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one is COc1ccccc1CN1CC(C(=O)N2CCCCO2)CCC1=O.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one?
The InChIKey is HGMUCXYYFSETNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-23-16-7-3-2-6-14(16)12-19-13-15(8-9-17(19)21)18(22)20-10-4-5-11-24-20/h2-3,6-7,15H,4-5,8-13H2,1H3.
What are the key properties of 1-[(2-methoxyphenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one?
1-[(2-methoxyphenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one has a molecular weight of 332.40 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one is sourced from PubChem (CID 24817626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).