1-[2-(4-chlorophenyl)ethyl]-5-(oxazinane-2-carbonyl)piperidin-2-one

C18H23ClN2O3 — CID 24790210

IUPAC1-[2-(4-chlorophenyl)ethyl]-5-(oxazinane-2-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCCO2)CN1CCc1ccc(Cl)cc1
InChIInChI=1S/C18H23ClN2O3/c19-16-6-3-14(4-7-16)9-11-20-13-15(5-8-17(20)22)18(23)21-10-1-2-12-24-21/h3-4,6-7,15H,1-2,5,8-13H2
InChIKeyMYFXOFMFSACBIF-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.68
Rot. Bonds4

About 1-[2-(4-chlorophenyl)ethyl]-5-(oxazinane-2-carbonyl)piperidin-2-one

1-[2-(4-chlorophenyl)ethyl]-5-(oxazinane-2-carbonyl)piperidin-2-one (PubChem CID 24790210) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-5-(oxazinane-2-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-5-(oxazinane-2-carbonyl)piperidin-2-one
PubChem CID24790210
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-5-(oxazinane-2-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCCO2)CN1CCc1ccc(Cl)cc1
InChIInChI=1S/C18H23ClN2O3/c19-16-6-3-14(4-7-16)9-11-20-13-15(5-8-17(20)22)18(23)21-10-1-2-12-24-21/h3-4,6-7,15H,1-2,5,8-13H2
InChIKeyMYFXOFMFSACBIF-UHFFFAOYSA-N
XLogP2.68
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorobenzyl)-N-[2-(1-cyclohexen-1-yl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24817174
1-(4-Chlorobenzyl)-5-[(4-methyl-1-piperidinyl)carbonyl]-2-piperidinone
CID 24817781
5-(1,2-Oxazinan-2-ylcarbonyl)-1-(2-phenylethyl)-2-piperidinone
CID 24819472
1-(4-Chlorobenzyl)-5-(4-morpholinylcarbonyl)-2-piperidinone
CID 24790326
1-(4-Chlorobenzyl)-5-(1,2-oxazinan-2-ylcarbonyl)-2-piperidinone
CID 24790131
1-[2-(4-Chlorophenyl)ethyl]-5-{[4-(2-methoxyethyl)-1-piperazinyl]carbonyl}-2-piperidinone
CID 24792085
Ethyl 4-{[1-(4-chlorobenzyl)-6-oxo-3-piperidinyl]carbonyl}-1-piperazinecarboxylate
CID 24816743
1-[2-(4-Chlorophenyl)ethyl]-5-{[4-(methoxymethyl)-1-piperidinyl]carbonyl}-2-piperidinone
CID 24817006
1-[2-(4-Chlorophenyl)ethyl]-5-(4-hydroxypiperidine-1-carbonyl)piperidin-2-one
CID 24817015
1-[(4-Chlorophenyl)methyl]-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]piperidin-2-one
CID 24817812
4-[1-[2-(4-Chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 24790115
5-(1-Azepanylcarbonyl)-1-[2-(4-chlorophenyl)ethyl]-2-piperidinone
CID 24790147

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-5-(oxazinane-2-carbonyl)piperidin-2-one?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-5-(oxazinane-2-carbonyl)piperidin-2-one (CID 24790210) is 1-[2-(4-chlorophenyl)ethyl]-5-(oxazinane-2-carbonyl)piperidin-2-one.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-5-(oxazinane-2-carbonyl)piperidin-2-one?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-5-(oxazinane-2-carbonyl)piperidin-2-one is O=C1CCC(C(=O)N2CCCCO2)CN1CCc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-5-(oxazinane-2-carbonyl)piperidin-2-one?
The InChIKey is MYFXOFMFSACBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O3/c19-16-6-3-14(4-7-16)9-11-20-13-15(5-8-17(20)22)18(23)21-10-1-2-12-24-21/h3-4,6-7,15H,1-2,5,8-13H2.
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-5-(oxazinane-2-carbonyl)piperidin-2-one?
1-[2-(4-chlorophenyl)ethyl]-5-(oxazinane-2-carbonyl)piperidin-2-one has a molecular weight of 350.85 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-5-(oxazinane-2-carbonyl)piperidin-2-one is sourced from PubChem (CID 24790210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).