1H-indazol-3-yl-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone

C20H21N3OS — CID 70771975

IUPAC1H-indazol-3-yl-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone
SMILESCc1cccc(SC2CCN(C(=O)c3n[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C20H21N3OS/c1-14-5-4-6-16(13-14)25-15-9-11-23(12-10-15)20(24)19-17-7-2-3-8-18(17)21-22-19/h2-8,13,15H,9-12H2,1H3,(H,21,22)
InChIKeyJXVXWEXGLBOKHG-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.27
Rot. Bonds3

About 1H-indazol-3-yl-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone

1H-indazol-3-yl-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone (PubChem CID 70771975) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 1H-indazol-3-yl-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone
PubChem CID70771975
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name1H-indazol-3-yl-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone
SMILESCc1cccc(SC2CCN(C(=O)c3n[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C20H21N3OS/c1-14-5-4-6-16(13-14)25-15-9-11-23(12-10-15)20(24)19-17-7-2-3-8-18(17)21-22-19/h2-8,13,15H,9-12H2,1H3,(H,21,22)
InChIKeyJXVXWEXGLBOKHG-UHFFFAOYSA-N
XLogP4.27
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]-1H-imidazole-5-carboxylic acid
CID 77096850
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone
CID 72904763
N-(2,4-dimethylphenyl)-1-(1H-indazole-3-carbonyl)piperidine-4-carboxamide
CID 16866424
N-(2,5-dimethylphenyl)-1-(1H-indazole-3-carbonyl)piperidine-4-carboxamide
CID 16866425
[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 54878386
1H-indazol-3-yl-(4-phenylpiperidin-1-yl)methanone
CID 143724811
1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465787
1H-indazol-3-yl-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 91918253
1-(1H-indazole-3-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 47066202
1H-indazol-3-yl-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone
CID 70783899
1-methyl-4-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one
CID 70716112

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone?
The IUPAC name of 1H-indazol-3-yl-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone (CID 70771975) is 1H-indazol-3-yl-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone is Cc1cccc(SC2CCN(C(=O)c3n[nH]c4ccccc34)CC2)c1.
What is the InChIKey of 1H-indazol-3-yl-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone?
The InChIKey is JXVXWEXGLBOKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-14-5-4-6-16(13-14)25-15-9-11-23(12-10-15)20(24)19-17-7-2-3-8-18(17)21-22-19/h2-8,13,15H,9-12H2,1H3,(H,21,22).
What are the key properties of 1H-indazol-3-yl-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone?
1H-indazol-3-yl-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone has a molecular weight of 351.48 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone is sourced from PubChem (CID 70771975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).