1-(4-methylpiperidin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one

C18H27NO4S — CID 110298398

IUPAC1-(4-methylpiperidin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one
SMILESCC1CCN(C(=O)CCS(=O)(=O)c2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C18H27NO4S/c1-14(2)23-16-4-6-17(7-5-16)24(21,22)13-10-18(20)19-11-8-15(3)9-12-19/h4-7,14-15H,8-13H2,1-3H3
InChIKeyYXZPICWZEAMEOT-UHFFFAOYSA-N
MW353.48 g/mol
LogP2.90
Rot. Bonds6

About 1-(4-methylpiperidin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one

1-(4-methylpiperidin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one (PubChem CID 110298398) has the molecular formula C18H27NO4S and a molecular weight of 353.48 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one
PubChem CID110298398
Molecular FormulaC18H27NO4S
Molecular Weight353.48 g/mol
Exact Mass353.17
IUPAC Name1-(4-methylpiperidin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one
SMILESCC1CCN(C(=O)CCS(=O)(=O)c2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C18H27NO4S/c1-14(2)23-16-4-6-17(7-5-16)24(21,22)13-10-18(20)19-11-8-15(3)9-12-19/h4-7,14-15H,8-13H2,1-3H3
InChIKeyYXZPICWZEAMEOT-UHFFFAOYSA-N
XLogP2.90
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.48
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

beta-Sulfone piperidine hydroxamate, 2a
CID 44143475
beta-Sulfone piperidine hydroxamate, 2b
CID 9801569
alpha-Sulfone piperidine hydroxamate, 1a
CID 10134897
alpha-Sulfone piperidine hydroxamate, 1d
CID 11201814
alpha-Sulfone piperidine hydroxamate, 1b
CID 15503645
Tert-butyl 4-({[4-(but-2-yn-1-yloxy)benzene]sulfonyl}methyl)-4-(hydroxycarbamoyl)piperidine-1-carboxylate
CID 23513850
alpha-Sulfone 27d
CID 11532912
tert-Butyl 4-[(Hydroxyamino)carbonyl]-4-{[(4-phenoxyphenyl)sulfonyl]methyl}piperidine-1-carboxylate
CID 11562747
alpha-Sulfone 27c
CID 11589973
alpha-Sulfone 27h
CID 11619415
4-(4-butoxyphenylsulfonyl)-N-hydroxy-1-(3-phenoxypropyl)piperidine-4-carboxamide
CID 9913489
1-[4-(4-Methoxyphenyl)sulfonylpiperazin-1-yl]-3-methylbutan-1-one
CID 717180

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one (CID 110298398) is 1-(4-methylpiperidin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one is CC1CCN(C(=O)CCS(=O)(=O)c2ccc(OC(C)C)cc2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one?
The InChIKey is YXZPICWZEAMEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4S/c1-14(2)23-16-4-6-17(7-5-16)24(21,22)13-10-18(20)19-11-8-15(3)9-12-19/h4-7,14-15H,8-13H2,1-3H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one?
1-(4-methylpiperidin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one has a molecular weight of 353.48 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one is sourced from PubChem (CID 110298398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).