4-methylsulfanyl-N-(1-phenylpiperidin-4-yl)benzamide

C19H22N2OS — CID 86828685

IUPAC4-methylsulfanyl-N-(1-phenylpiperidin-4-yl)benzamide
SMILESCSc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2OS/c1-23-18-9-7-15(8-10-18)19(22)20-16-11-13-21(14-12-16)17-5-3-2-4-6-17/h2-10,16H,11-14H2,1H3,(H,20,22)
InChIKeySVHKIAMFNRHRAH-UHFFFAOYSA-N
MW326.47 g/mol
LogP3.81
Rot. Bonds4

About 4-methylsulfanyl-N-(1-phenylpiperidin-4-yl)benzamide

4-methylsulfanyl-N-(1-phenylpiperidin-4-yl)benzamide (PubChem CID 86828685) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 4-methylsulfanyl-N-(1-phenylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-(1-phenylpiperidin-4-yl)benzamide
PubChem CID86828685
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name4-methylsulfanyl-N-(1-phenylpiperidin-4-yl)benzamide
SMILESCSc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2OS/c1-23-18-9-7-15(8-10-18)19(22)20-16-11-13-21(14-12-16)17-5-3-2-4-6-17/h2-10,16H,11-14H2,1H3,(H,20,22)
InChIKeySVHKIAMFNRHRAH-UHFFFAOYSA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-N-(1-phenylpiperidin-4-yl)benzamide
CID 110745886
N-cyclohexyl-4-methylsulfanylbenzamide
CID 60645846
N-[4-(methylamino)cyclohexyl]-4-methylsulfanylbenzamide
CID 79217136
3-methyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 110735842
N-(1-phenylpiperidin-4-yl)acetamide;hydrochloride
CID 155657873
2-methyl-N-[1-(4-methylsulfanylbenzoyl)piperidin-4-yl]benzamide
CID 39510378
4-methyl-3,5-dinitro-N-(1-phenylpiperidin-4-yl)benzamide
CID 86830350
N-cyclopropyl-4-(4-methoxypiperidin-1-yl)benzamide
CID 91813653
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
N-cyclopropyl-4-piperidin-1-ylbenzamide
CID 21368345
4-(4-hydroxypiperidin-1-yl)-N-(1-propylpiperidin-4-yl)benzamide
CID 111331639
N-(1-tert-butylpiperidin-4-yl)benzamide
CID 61036493

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-(1-phenylpiperidin-4-yl)benzamide?
The IUPAC name of 4-methylsulfanyl-N-(1-phenylpiperidin-4-yl)benzamide (CID 86828685) is 4-methylsulfanyl-N-(1-phenylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-methylsulfanyl-N-(1-phenylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-methylsulfanyl-N-(1-phenylpiperidin-4-yl)benzamide is CSc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-methylsulfanyl-N-(1-phenylpiperidin-4-yl)benzamide?
The InChIKey is SVHKIAMFNRHRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-23-18-9-7-15(8-10-18)19(22)20-16-11-13-21(14-12-16)17-5-3-2-4-6-17/h2-10,16H,11-14H2,1H3,(H,20,22).
What are the key properties of 4-methylsulfanyl-N-(1-phenylpiperidin-4-yl)benzamide?
4-methylsulfanyl-N-(1-phenylpiperidin-4-yl)benzamide has a molecular weight of 326.47 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-(1-phenylpiperidin-4-yl)benzamide is sourced from PubChem (CID 86828685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).