N-(1-methylsulfonylpiperidin-4-yl)-3-(pyrazol-1-ylmethyl)benzamide

C17H22N4O3S — CID 70748260

IUPACN-(1-methylsulfonylpiperidin-4-yl)-3-(pyrazol-1-ylmethyl)benzamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2cccc(Cn3cccn3)c2)CC1
InChIInChI=1S/C17H22N4O3S/c1-25(23,24)21-10-6-16(7-11-21)19-17(22)15-5-2-4-14(12-15)13-20-9-3-8-18-20/h2-5,8-9,12,16H,6-7,10-11,13H2,1H3,(H,19,22)
InChIKeyGITOBNIHGZNGJO-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.09
Rot. Bonds5

About N-(1-methylsulfonylpiperidin-4-yl)-3-(pyrazol-1-ylmethyl)benzamide

N-(1-methylsulfonylpiperidin-4-yl)-3-(pyrazol-1-ylmethyl)benzamide (PubChem CID 70748260) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-(1-methylsulfonylpiperidin-4-yl)-3-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpiperidin-4-yl)-3-(pyrazol-1-ylmethyl)benzamide
PubChem CID70748260
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-(1-methylsulfonylpiperidin-4-yl)-3-(pyrazol-1-ylmethyl)benzamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2cccc(Cn3cccn3)c2)CC1
InChIInChI=1S/C17H22N4O3S/c1-25(23,24)21-10-6-16(7-11-21)19-17(22)15-5-2-4-14(12-15)13-20-9-3-8-18-20/h2-5,8-9,12,16H,6-7,10-11,13H2,1H3,(H,19,22)
InChIKeyGITOBNIHGZNGJO-UHFFFAOYSA-N
XLogP1.09
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-hydroxy-3-methylbutyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 70749711
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769
N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 42592717
N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
CID 3218770
N-cyclopentyl-4-(pyrazol-1-ylmethyl)benzamide
CID 18136591
3-(2,2-dimethylpropanoylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 46419714
3-(2-methoxyethylsulfamoyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999775
1-(1-cyclopropylpiperidin-4-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 86988645
N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 35764030
N-(1-ethylsulfonylpiperidin-4-yl)-3-fluorobenzamide
CID 110823002
N-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 70772428
3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide
CID 43921921

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)-3-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)-3-(pyrazol-1-ylmethyl)benzamide (CID 70748260) is N-(1-methylsulfonylpiperidin-4-yl)-3-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(1-methylsulfonylpiperidin-4-yl)-3-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(1-methylsulfonylpiperidin-4-yl)-3-(pyrazol-1-ylmethyl)benzamide is CS(=O)(=O)N1CCC(NC(=O)c2cccc(Cn3cccn3)c2)CC1.
What is the InChIKey of N-(1-methylsulfonylpiperidin-4-yl)-3-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is GITOBNIHGZNGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-25(23,24)21-10-6-16(7-11-21)19-17(22)15-5-2-4-14(12-15)13-20-9-3-8-18-20/h2-5,8-9,12,16H,6-7,10-11,13H2,1H3,(H,19,22).
What are the key properties of N-(1-methylsulfonylpiperidin-4-yl)-3-(pyrazol-1-ylmethyl)benzamide?
N-(1-methylsulfonylpiperidin-4-yl)-3-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 362.46 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpiperidin-4-yl)-3-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 70748260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).