(3-methyl-2-pyridinyl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

C16H20N4O3S — CID 118741500

IUPAC(3-methyl-2-pyridinyl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1cccnc1C(=O)N1CCCC(c2[nH]ncc2S(C)(=O)=O)C1
InChIInChI=1S/C16H20N4O3S/c1-11-5-3-7-17-14(11)16(21)20-8-4-6-12(10-20)15-13(9-18-19-15)24(2,22)23/h3,5,7,9,12H,4,6,8,10H2,1-2H3,(H,18,19)
InChIKeyHJSGJWXSLHNMOX-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.54
Rot. Bonds3

About (3-methyl-2-pyridinyl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

(3-methyl-2-pyridinyl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 118741500) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is (3-methyl-2-pyridinyl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-2-pyridinyl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID118741500
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name(3-methyl-2-pyridinyl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1cccnc1C(=O)N1CCCC(c2[nH]ncc2S(C)(=O)=O)C1
InChIInChI=1S/C16H20N4O3S/c1-11-5-3-7-17-14(11)16(21)20-8-4-6-12(10-20)15-13(9-18-19-15)24(2,22)23/h3,5,7,9,12H,4,6,8,10H2,1-2H3,(H,18,19)
InChIKeyHJSGJWXSLHNMOX-UHFFFAOYSA-N
XLogP1.54
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-pyridinyl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-methyl-2-pyridinyl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 118741500) is (3-methyl-2-pyridinyl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methyl-2-pyridinyl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methyl-2-pyridinyl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is Cc1cccnc1C(=O)N1CCCC(c2[nH]ncc2S(C)(=O)=O)C1.
What is the InChIKey of (3-methyl-2-pyridinyl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is HJSGJWXSLHNMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-11-5-3-7-17-14(11)16(21)20-8-4-6-12(10-20)15-13(9-18-19-15)24(2,22)23/h3,5,7,9,12H,4,6,8,10H2,1-2H3,(H,18,19).
What are the key properties of (3-methyl-2-pyridinyl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(3-methyl-2-pyridinyl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 348.43 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-pyridinyl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 118741500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).