5-(oxazinane-2-carbonyl)-1-(2-phenylethyl)piperidin-2-one

C18H24N2O3 — CID 24819472

IUPAC5-(oxazinane-2-carbonyl)-1-(2-phenylethyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCCO2)CN1CCc1ccccc1
InChIInChI=1S/C18H24N2O3/c21-17-9-8-16(18(22)20-11-4-5-13-23-20)14-19(17)12-10-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2
InChIKeyJPIZMBITWLJEOW-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.02
Rot. Bonds4

About 5-(oxazinane-2-carbonyl)-1-(2-phenylethyl)piperidin-2-one

5-(oxazinane-2-carbonyl)-1-(2-phenylethyl)piperidin-2-one (PubChem CID 24819472) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 5-(oxazinane-2-carbonyl)-1-(2-phenylethyl)piperidin-2-one.

Molecular Properties

Compound Name5-(oxazinane-2-carbonyl)-1-(2-phenylethyl)piperidin-2-one
PubChem CID24819472
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name5-(oxazinane-2-carbonyl)-1-(2-phenylethyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCCO2)CN1CCc1ccccc1
InChIInChI=1S/C18H24N2O3/c21-17-9-8-16(18(22)20-11-4-5-13-23-20)14-19(17)12-10-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2
InChIKeyJPIZMBITWLJEOW-UHFFFAOYSA-N
XLogP2.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-Chlorophenyl)ethyl]-5-(1,2-oxazinan-2-ylcarbonyl)-2-piperidinone
CID 24790210
1-[2-(3-Fluorophenyl)ethyl]-5-[(4-methoxy-1-piperidinyl)carbonyl]-2-piperidinone
CID 24790276
Methyl 1-{[6-oxo-1-(3-phenylpropyl)-3-piperidinyl]carbonyl}-4-piperidinecarboxylate
CID 24790447
5-{[4-(2-Methoxyethyl)-1-piperazinyl]carbonyl}-1-(2-phenylethyl)-2-piperidinone
CID 24793163
1-[2-(3-Fluorophenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)piperidin-2-one
CID 24793260
5-{[4-(3-Methoxypropyl)-1-piperidinyl]carbonyl}-1-(2-phenylethyl)-2-piperidinone
CID 24793807
N-{[1-({1-[2-(3-fluorophenyl)ethyl]-6-oxo-3-piperidinyl}carbonyl)-4-piperidinyl]methyl}acetamide
CID 24794305
Methyl 1-({1-[2-(3-fluorophenyl)ethyl]-6-oxo-3-piperidinyl}carbonyl)-4-piperidinecarboxylate
CID 24819508
N-allyl-6-oxo-1-(3-phenylpropyl)-N-2-propyn-1-yl-3-piperidinecarboxamide
CID 23723207
1-(4-Chlorobenzyl)-5-(1,2-oxazinan-2-ylcarbonyl)-2-piperidinone
CID 24790131
1-[2-(4-Chlorophenyl)ethyl]-5-{[4-(methoxymethyl)-1-piperidinyl]carbonyl}-2-piperidinone
CID 24817006
1-(3-Fluorobenzyl)-5-(1,2-oxazinan-2-ylcarbonyl)-2-piperidinone
CID 24817232

Frequently Asked Questions

What is the IUPAC name of 5-(oxazinane-2-carbonyl)-1-(2-phenylethyl)piperidin-2-one?
The IUPAC name of 5-(oxazinane-2-carbonyl)-1-(2-phenylethyl)piperidin-2-one (CID 24819472) is 5-(oxazinane-2-carbonyl)-1-(2-phenylethyl)piperidin-2-one.
What is the SMILES notation for 5-(oxazinane-2-carbonyl)-1-(2-phenylethyl)piperidin-2-one?
The canonical SMILES for 5-(oxazinane-2-carbonyl)-1-(2-phenylethyl)piperidin-2-one is O=C1CCC(C(=O)N2CCCCO2)CN1CCc1ccccc1.
What is the InChIKey of 5-(oxazinane-2-carbonyl)-1-(2-phenylethyl)piperidin-2-one?
The InChIKey is JPIZMBITWLJEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-17-9-8-16(18(22)20-11-4-5-13-23-20)14-19(17)12-10-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2.
What are the key properties of 5-(oxazinane-2-carbonyl)-1-(2-phenylethyl)piperidin-2-one?
5-(oxazinane-2-carbonyl)-1-(2-phenylethyl)piperidin-2-one has a molecular weight of 316.40 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxazinane-2-carbonyl)-1-(2-phenylethyl)piperidin-2-one is sourced from PubChem (CID 24819472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).