4-(2-methylphenyl)-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide

C20H24N2OS — CID 23071923

IUPAC4-(2-methylphenyl)-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide
SMILESCSc1ccc(NC(=O)N2CCC(c3ccccc3C)CC2)cc1
InChIInChI=1S/C20H24N2OS/c1-15-5-3-4-6-19(15)16-11-13-22(14-12-16)20(23)21-17-7-9-18(24-2)10-8-17/h3-10,16H,11-14H2,1-2H3,(H,21,23)
InChIKeyFBSHWMJHUUSWFB-UHFFFAOYSA-N
MW340.49 g/mol
LogP5.13
Rot. Bonds3

About 4-(2-methylphenyl)-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide

4-(2-methylphenyl)-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide (PubChem CID 23071923) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 4-(2-methylphenyl)-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methylphenyl)-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide
PubChem CID23071923
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name4-(2-methylphenyl)-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide
SMILESCSc1ccc(NC(=O)N2CCC(c3ccccc3C)CC2)cc1
InChIInChI=1S/C20H24N2OS/c1-15-5-3-4-6-19(15)16-11-13-22(14-12-16)20(23)21-17-7-9-18(24-2)10-8-17/h3-10,16H,11-14H2,1-2H3,(H,21,23)
InChIKeyFBSHWMJHUUSWFB-UHFFFAOYSA-N
XLogP5.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.49
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide
CID 5196870
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide
CID 1430645
N-(4-methylsulfanylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 3835544
4-[(3-methyl-2-pyridinyl)methyl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide
CID 72868148
(2S)-2-(2-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855883
(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
CID 51856075
4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide
CID 53146897
1-[5-(4-methylsulfanylanilino)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]ethanone
CID 167823778
N-(4-chlorophenyl)-2-(2-methylphenyl)morpholine-4-carboxamide
CID 110364497
7-(2-chlorophenyl)-N-(3,4-dimethylphenyl)-1,4-thiazepane-4-carboxamide
CID 90629886
N-(4-methylphenyl)-5-[1-[(3-methylsulfanylphenyl)carbamoyl]piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
CID 46376500
3-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 55982371

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(2-methylphenyl)-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide (CID 23071923) is 4-(2-methylphenyl)-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-methylphenyl)-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(2-methylphenyl)-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide is CSc1ccc(NC(=O)N2CCC(c3ccccc3C)CC2)cc1.
What is the InChIKey of 4-(2-methylphenyl)-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide?
The InChIKey is FBSHWMJHUUSWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-15-5-3-4-6-19(15)16-11-13-22(14-12-16)20(23)21-17-7-9-18(24-2)10-8-17/h3-10,16H,11-14H2,1-2H3,(H,21,23).
What are the key properties of 4-(2-methylphenyl)-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide?
4-(2-methylphenyl)-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide has a molecular weight of 340.49 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 23071923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).