3-(3-hydroxy-3-methylbutyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide

C18H28N2O4S — CID 70749711

IUPAC3-(3-hydroxy-3-methylbutyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
SMILESCC(C)(O)CCc1cccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C18H28N2O4S/c1-18(2,22)10-7-14-5-4-6-15(13-14)17(21)19-16-8-11-20(12-9-16)25(3,23)24/h4-6,13,16,22H,7-12H2,1-3H3,(H,19,21)
InChIKeyZNSHQJHDNMHTQH-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.54
Rot. Bonds6

About 3-(3-hydroxy-3-methylbutyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide

3-(3-hydroxy-3-methylbutyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide (PubChem CID 70749711) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 3-(3-hydroxy-3-methylbutyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-(3-hydroxy-3-methylbutyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
PubChem CID70749711
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name3-(3-hydroxy-3-methylbutyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
SMILESCC(C)(O)CCc1cccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C18H28N2O4S/c1-18(2,22)10-7-14-5-4-6-15(13-14)17(21)19-16-8-11-20(12-9-16)25(3,23)24/h4-6,13,16,22H,7-12H2,1-3H3,(H,19,21)
InChIKeyZNSHQJHDNMHTQH-UHFFFAOYSA-N
XLogP1.54
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769
N-(1-methylsulfonylpiperidin-4-yl)-3-(pyrazol-1-ylmethyl)benzamide
CID 70748260
3-(2,2-dimethylpropanoylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 46419714
3-(3-hydroxy-3-methylbutyl)-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide
CID 95894197
3-(3-hydroxy-3-methylbutyl)-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]benzamide
CID 95894196
N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 95885487
3-(2-methoxyethylsulfamoyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999775
3-[[(R)-methylsulfinyl]methyl]-N-[(3S)-1-methylsulfonylpiperidin-3-yl]benzamide
CID 95305202
3-(2-aminoethyl)-N-cyclohexylbenzamide
CID 62591538
3-(3-hydroxy-3-methylbutyl)-N-[(3S,4S)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]benzamide
CID 70719123
N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
CID 3218770
3-(3-hydroxy-3-methylbutyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzamide
CID 95896352

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-3-methylbutyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The IUPAC name of 3-(3-hydroxy-3-methylbutyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide (CID 70749711) is 3-(3-hydroxy-3-methylbutyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-(3-hydroxy-3-methylbutyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-(3-hydroxy-3-methylbutyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide is CC(C)(O)CCc1cccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)c1.
What is the InChIKey of 3-(3-hydroxy-3-methylbutyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The InChIKey is ZNSHQJHDNMHTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-18(2,22)10-7-14-5-4-6-15(13-14)17(21)19-16-8-11-20(12-9-16)25(3,23)24/h4-6,13,16,22H,7-12H2,1-3H3,(H,19,21).
What are the key properties of 3-(3-hydroxy-3-methylbutyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
3-(3-hydroxy-3-methylbutyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide has a molecular weight of 368.50 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-3-methylbutyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide is sourced from PubChem (CID 70749711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).