4-methylsulfanyl-N-(2-piperidin-4-yloxyethyl)benzamide

C15H22N2O2S — CID 79217625

IUPAC4-methylsulfanyl-N-(2-piperidin-4-yloxyethyl)benzamide
SMILESCSc1ccc(C(=O)NCCOC2CCNCC2)cc1
InChIInChI=1S/C15H22N2O2S/c1-20-14-4-2-12(3-5-14)15(18)17-10-11-19-13-6-8-16-9-7-13/h2-5,13,16H,6-11H2,1H3,(H,17,18)
InChIKeyRYOYYJZIDZHENE-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.91
Rot. Bonds6

About 4-methylsulfanyl-N-(2-piperidin-4-yloxyethyl)benzamide

4-methylsulfanyl-N-(2-piperidin-4-yloxyethyl)benzamide (PubChem CID 79217625) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-methylsulfanyl-N-(2-piperidin-4-yloxyethyl)benzamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-(2-piperidin-4-yloxyethyl)benzamide
PubChem CID79217625
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name4-methylsulfanyl-N-(2-piperidin-4-yloxyethyl)benzamide
SMILESCSc1ccc(C(=O)NCCOC2CCNCC2)cc1
InChIInChI=1S/C15H22N2O2S/c1-20-14-4-2-12(3-5-14)15(18)17-10-11-19-13-6-8-16-9-7-13/h2-5,13,16H,6-11H2,1H3,(H,17,18)
InChIKeyRYOYYJZIDZHENE-UHFFFAOYSA-N
XLogP1.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 55251922
4-ethyl-N-(2-piperidin-4-yloxyethyl)benzamide
CID 63869936
3,4-dihydroxy-N-(2-piperidin-4-yloxyethyl)benzamide
CID 107728729
3-bromo-4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 107956118
N-(2-piperidin-4-yloxyethyl)furan-3-carboxamide
CID 63870938
N-(2-piperidin-4-yloxyethyl)-1H-indazole-6-carboxamide
CID 63871270
3-bromo-5-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 63869779
2-fluoro-6-methoxy-N-(2-piperidin-4-yloxyethyl)benzamide
CID 65434238
N-(2-cyclooct-4-en-1-yloxyethyl)-4-(18F)fluoro(18F)benzamide
CID 123167407
2-chloro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 63871254
N-(2-piperidin-4-yloxyethyl)furan-2-carboxamide
CID 55251726
2-hydroxy-4-methyl-N-(2-piperidin-4-yloxyethyl)benzamide
CID 63870104

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-(2-piperidin-4-yloxyethyl)benzamide?
The IUPAC name of 4-methylsulfanyl-N-(2-piperidin-4-yloxyethyl)benzamide (CID 79217625) is 4-methylsulfanyl-N-(2-piperidin-4-yloxyethyl)benzamide.
What is the SMILES notation for 4-methylsulfanyl-N-(2-piperidin-4-yloxyethyl)benzamide?
The canonical SMILES for 4-methylsulfanyl-N-(2-piperidin-4-yloxyethyl)benzamide is CSc1ccc(C(=O)NCCOC2CCNCC2)cc1.
What is the InChIKey of 4-methylsulfanyl-N-(2-piperidin-4-yloxyethyl)benzamide?
The InChIKey is RYOYYJZIDZHENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-20-14-4-2-12(3-5-14)15(18)17-10-11-19-13-6-8-16-9-7-13/h2-5,13,16H,6-11H2,1H3,(H,17,18).
What are the key properties of 4-methylsulfanyl-N-(2-piperidin-4-yloxyethyl)benzamide?
4-methylsulfanyl-N-(2-piperidin-4-yloxyethyl)benzamide has a molecular weight of 294.42 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-(2-piperidin-4-yloxyethyl)benzamide is sourced from PubChem (CID 79217625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).