[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(oxazinan-2-yl)methanone

C17H24N2O5S — CID 42512088

IUPAC[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(oxazinan-2-yl)methanone
SMILESCS(=O)(=O)N1CCC(Oc2cccc(C(=O)N3CCCCO3)c2)CC1
InChIInChI=1S/C17H24N2O5S/c1-25(21,22)18-10-7-15(8-11-18)24-16-6-4-5-14(13-16)17(20)19-9-2-3-12-23-19/h4-6,13,15H,2-3,7-12H2,1H3
InChIKeyKZLLJGVWEDGROR-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.66
Rot. Bonds4

About [3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(oxazinan-2-yl)methanone

[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(oxazinan-2-yl)methanone (PubChem CID 42512088) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is [3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(oxazinan-2-yl)methanone.

Molecular Properties

Compound Name[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(oxazinan-2-yl)methanone
PubChem CID42512088
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(oxazinan-2-yl)methanone
SMILESCS(=O)(=O)N1CCC(Oc2cccc(C(=O)N3CCCCO3)c2)CC1
InChIInChI=1S/C17H24N2O5S/c1-25(21,22)18-10-7-15(8-11-18)24-16-6-4-5-14(13-16)17(20)19-9-2-3-12-23-19/h4-6,13,15H,2-3,7-12H2,1H3
InChIKeyKZLLJGVWEDGROR-UHFFFAOYSA-N
XLogP1.66
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(1,2-oxazolidin-2-yl)methanone
CID 42240695
3-(1-methylsulfonylpiperidin-4-yl)oxyaniline
CID 145496921
3-(1-methylsulfonylpiperidin-4-yl)oxy-N-[(3S)-2-oxoazepan-3-yl]benzamide
CID 42287476
N-methyl-3-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
CID 45191105
4-[3-[(1S,5R)-6-azabicyclo[3.2.1]octane-6-carbonyl]phenoxy]-N,N-dimethylpiperidine-1-sulfonamide
CID 133138526
3-(oxan-4-yloxy)benzoic acid
CID 23149060
(2R)-1-(3-cyclopentyloxybenzoyl)piperidine-2-carboxylic acid
CID 99639499
N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine
CID 69228289
3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-methyl-N-[(3R)-oxolan-3-yl]benzamide
CID 42393600
3-methoxy-1-[4-[4-(oxazinane-2-carbonyl)phenoxy]piperidin-1-yl]propan-1-one
CID 42243815
[3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-piperidin-1-ylmethanone
CID 72870356
3-(1-methoxycarbonylpiperidin-4-yl)oxybenzoic acid
CID 118929960

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(oxazinan-2-yl)methanone?
The IUPAC name of [3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(oxazinan-2-yl)methanone (CID 42512088) is [3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(oxazinan-2-yl)methanone.
What is the SMILES notation for [3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(oxazinan-2-yl)methanone?
The canonical SMILES for [3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(oxazinan-2-yl)methanone is CS(=O)(=O)N1CCC(Oc2cccc(C(=O)N3CCCCO3)c2)CC1.
What is the InChIKey of [3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(oxazinan-2-yl)methanone?
The InChIKey is KZLLJGVWEDGROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-25(21,22)18-10-7-15(8-11-18)24-16-6-4-5-14(13-16)17(20)19-9-2-3-12-23-19/h4-6,13,15H,2-3,7-12H2,1H3.
What are the key properties of [3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(oxazinan-2-yl)methanone?
[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(oxazinan-2-yl)methanone has a molecular weight of 368.46 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(oxazinan-2-yl)methanone is sourced from PubChem (CID 42512088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).