[1-(4-methylsulfonylphenyl)cyclobutyl]-(3-propan-2-ylpiperidin-1-yl)methanone

C20H29NO3S — CID 91793765

IUPAC[1-(4-methylsulfonylphenyl)cyclobutyl]-(3-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCCN(C(=O)C2(c3ccc(S(C)(=O)=O)cc3)CCC2)C1
InChIInChI=1S/C20H29NO3S/c1-15(2)16-6-4-13-21(14-16)19(22)20(11-5-12-20)17-7-9-18(10-8-17)25(3,23)24/h7-10,15-16H,4-6,11-14H2,1-3H3
InChIKeyHZDRUFZGZBPTLS-UHFFFAOYSA-N
MW363.52 g/mol
LogP3.41
Rot. Bonds4

About [1-(4-methylsulfonylphenyl)cyclobutyl]-(3-propan-2-ylpiperidin-1-yl)methanone

[1-(4-methylsulfonylphenyl)cyclobutyl]-(3-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 91793765) has the molecular formula C20H29NO3S and a molecular weight of 363.52 g/mol. Its IUPAC name is [1-(4-methylsulfonylphenyl)cyclobutyl]-(3-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-methylsulfonylphenyl)cyclobutyl]-(3-propan-2-ylpiperidin-1-yl)methanone
PubChem CID91793765
Molecular FormulaC20H29NO3S
Molecular Weight363.52 g/mol
Exact Mass363.19
IUPAC Name[1-(4-methylsulfonylphenyl)cyclobutyl]-(3-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCCN(C(=O)C2(c3ccc(S(C)(=O)=O)cc3)CCC2)C1
InChIInChI=1S/C20H29NO3S/c1-15(2)16-6-4-13-21(14-16)19(22)20(11-5-12-20)17-7-9-18(10-8-17)25(3,23)24/h7-10,15-16H,4-6,11-14H2,1-3H3
InChIKeyHZDRUFZGZBPTLS-UHFFFAOYSA-N
XLogP3.41
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.52
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]methanone
CID 70898167
[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-[1-(4-methylsulfonylphenyl)cyclobutyl]methanone
CID 72855028
[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[1-(4-methylsulfonylphenyl)cyclohexyl]methanone
CID 155505570
(2R)-1-[1-(4-methylsulfonylphenyl)cyclobutanecarbonyl]pyrrolidine-2-carboxamide
CID 118765159
N-[1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidin-3-yl]methanesulfonamide
CID 55679047
[1-(4-methylsulfonylphenyl)cyclobutyl]-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone
CID 118796209
[1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
CID 59277648
N-methyl-N-(1-methylpiperidin-4-yl)-1-(4-methylsulfonylphenyl)cyclobutane-1-carboxamide
CID 118788762
N-[1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide
CID 56812467
[1-(4-chlorophenyl)cyclobutyl]-(3-hydroxypiperidin-1-yl)methanone;ethane
CID 142125179
1-(4-chlorophenyl)cyclobutane-1-carboxylic acid;[1-(4-chlorophenyl)cyclobutyl]-[3-(1-hydroxyethyl)piperidin-1-yl]methanone;[3-(1-hydroxyethyl)piperidin-1-yl]-methylborinic acid
CID 158254372
[3-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopentyl]methanone;hydrochloride
CID 119596142

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylsulfonylphenyl)cyclobutyl]-(3-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of [1-(4-methylsulfonylphenyl)cyclobutyl]-(3-propan-2-ylpiperidin-1-yl)methanone (CID 91793765) is [1-(4-methylsulfonylphenyl)cyclobutyl]-(3-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(4-methylsulfonylphenyl)cyclobutyl]-(3-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(4-methylsulfonylphenyl)cyclobutyl]-(3-propan-2-ylpiperidin-1-yl)methanone is CC(C)C1CCCN(C(=O)C2(c3ccc(S(C)(=O)=O)cc3)CCC2)C1.
What is the InChIKey of [1-(4-methylsulfonylphenyl)cyclobutyl]-(3-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is HZDRUFZGZBPTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3S/c1-15(2)16-6-4-13-21(14-16)19(22)20(11-5-12-20)17-7-9-18(10-8-17)25(3,23)24/h7-10,15-16H,4-6,11-14H2,1-3H3.
What are the key properties of [1-(4-methylsulfonylphenyl)cyclobutyl]-(3-propan-2-ylpiperidin-1-yl)methanone?
[1-(4-methylsulfonylphenyl)cyclobutyl]-(3-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 363.52 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylsulfonylphenyl)cyclobutyl]-(3-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 91793765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).