1-[(3-fluorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one

C17H21FN2O3 — CID 24817232

IUPAC1-[(3-fluorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCCO2)CN1Cc1cccc(F)c1
InChIInChI=1S/C17H21FN2O3/c18-15-5-3-4-13(10-15)11-19-12-14(6-7-16(19)21)17(22)20-8-1-2-9-23-20/h3-5,10,14H,1-2,6-9,11-12H2
InChIKeyHQLJAQIJYQQPPO-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.12
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one

1-[(3-fluorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one (PubChem CID 24817232) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one
PubChem CID24817232
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name1-[(3-fluorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCCO2)CN1Cc1cccc(F)c1
InChIInChI=1S/C17H21FN2O3/c18-15-5-3-4-13(10-15)11-19-12-14(6-7-16(19)21)17(22)20-8-1-2-9-23-20/h3-5,10,14H,1-2,6-9,11-12H2
InChIKeyHQLJAQIJYQQPPO-UHFFFAOYSA-N
XLogP2.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one (CID 24817232) is 1-[(3-fluorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one is O=C1CCC(C(=O)N2CCCCO2)CN1Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one?
The InChIKey is HQLJAQIJYQQPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c18-15-5-3-4-13(10-15)11-19-12-14(6-7-16(19)21)17(22)20-8-1-2-9-23-20/h3-5,10,14H,1-2,6-9,11-12H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one?
1-[(3-fluorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one has a molecular weight of 320.36 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one is sourced from PubChem (CID 24817232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).