2-(4-cyclohexyloxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone

C23H35NO4S — CID 58145256

IUPAC2-(4-cyclohexyloxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone
SMILESCC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(OC3CCCCC3)cc2)CC1
InChIInChI=1S/C23H35NO4S/c1-18(2)29(26,27)17-20-12-14-24(15-13-20)23(25)16-19-8-10-22(11-9-19)28-21-6-4-3-5-7-21/h8-11,18,20-21H,3-7,12-17H2,1-2H3
InChIKeyNGQLWWSQUMXISH-UHFFFAOYSA-N
MW421.60 g/mol
LogP4.00
Rot. Bonds7

About 2-(4-cyclohexyloxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone

2-(4-cyclohexyloxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone (PubChem CID 58145256) has the molecular formula C23H35NO4S and a molecular weight of 421.60 g/mol. Its IUPAC name is 2-(4-cyclohexyloxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-cyclohexyloxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone
PubChem CID58145256
Molecular FormulaC23H35NO4S
Molecular Weight421.60 g/mol
Exact Mass421.23
IUPAC Name2-(4-cyclohexyloxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone
SMILESCC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(OC3CCCCC3)cc2)CC1
InChIInChI=1S/C23H35NO4S/c1-18(2)29(26,27)17-20-12-14-24(15-13-20)23(25)16-19-8-10-22(11-9-19)28-21-6-4-3-5-7-21/h8-11,18,20-21H,3-7,12-17H2,1-2H3
InChIKeyNGQLWWSQUMXISH-UHFFFAOYSA-N
XLogP4.00
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.60
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyclopentyloxy-2-methylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone
CID 58144427
2-(4-propan-2-ylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone
CID 58145380
N-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]phenyl]cyclohexanecarboxamide
CID 58145025
1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 67585408
1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethanone
CID 58144780
2-(4-propan-2-ylsulfonylphenyl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone
CID 90566081
2-(4-ethoxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 110396830
2-(4-propan-2-ylsulfonylphenyl)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 119100727
4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-N,N-di(propan-2-yl)benzamide
CID 58144605
2-(4-chlorophenyl)-1-[4-(methylsulfonylmethyl)piperidin-1-yl]ethanone
CID 110736048
2-(4-propan-2-ylsulfanylphenyl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 91815931
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone
CID 110396939

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexyloxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-cyclohexyloxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone (CID 58145256) is 2-(4-cyclohexyloxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-cyclohexyloxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-cyclohexyloxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone is CC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(OC3CCCCC3)cc2)CC1.
What is the InChIKey of 2-(4-cyclohexyloxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone?
The InChIKey is NGQLWWSQUMXISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO4S/c1-18(2)29(26,27)17-20-12-14-24(15-13-20)23(25)16-19-8-10-22(11-9-19)28-21-6-4-3-5-7-21/h8-11,18,20-21H,3-7,12-17H2,1-2H3.
What are the key properties of 2-(4-cyclohexyloxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone?
2-(4-cyclohexyloxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone has a molecular weight of 421.60 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexyloxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 58145256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).