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

C17H21ClN2O3 — CID 24790131

IUPAC1-[(4-chlorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCCO2)CN1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O3/c18-15-6-3-13(4-7-15)11-19-12-14(5-8-16(19)21)17(22)20-9-1-2-10-23-20/h3-4,6-7,14H,1-2,5,8-12H2
InChIKeyMFGDWGYHJQOQPA-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.63
Rot. Bonds3

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

1-[(4-chlorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one (PubChem CID 24790131) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one
PubChem CID24790131
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name1-[(4-chlorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCCO2)CN1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O3/c18-15-6-3-13(4-7-15)11-19-12-14(5-8-16(19)21)17(22)20-9-1-2-10-23-20/h3-4,6-7,14H,1-2,5,8-12H2
InChIKeyMFGDWGYHJQOQPA-UHFFFAOYSA-N
XLogP2.63
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-(4-Chlorobenzyl)piperidin-3-yl)(piperidin-1-yl)methanone oxalate
CID 24747354
1-[2-(4-Chlorophenyl)ethyl]-5-(1,2-oxazinan-2-ylcarbonyl)-2-piperidinone
CID 24790210
5-{[4-(3-Chlorobenzyl)-1-piperazinyl]carbonyl}-1-cyclopentyl-2-piperidinone
CID 24791192
1-(4-chlorobenzyl)-N-(3-cyclopentylpropyl)-6-oxo-3-piperidinecarboxamide
CID 24794182
1-(4-chlorobenzyl)-N-[2-(1-cyclohexen-1-yl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24817174
N-[1-(4-chlorobenzyl)-3-piperidyl]-3-(2-ketopiperidino)propionamide
CID 24817686
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-[(4-Chlorophenyl)methyl-methylamino]butyl]piperidin-2-one
CID 134150162
1-(4-Chlorobenzyl)-5-(4-morpholinylcarbonyl)-2-piperidinone
CID 24790326
1-(4-Chlorobenzyl)-5-(4-thiomorpholinylcarbonyl)-2-piperidinone
CID 24790872
[1-(4-Chlorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 3617561

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one (CID 24790131) is 1-[(4-chlorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one is O=C1CCC(C(=O)N2CCCCO2)CN1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one?
The InChIKey is MFGDWGYHJQOQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c18-15-6-3-13(4-7-15)11-19-12-14(5-8-16(19)21)17(22)20-9-1-2-10-23-20/h3-4,6-7,14H,1-2,5,8-12H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one?
1-[(4-chlorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one has a molecular weight of 336.82 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one is sourced from PubChem (CID 24790131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).