3-(methylsulfanylmethyl)-N-(3-piperidin-1-ylpropyl)benzamide

C17H26N2OS — CID 143176255

IUPAC3-(methylsulfanylmethyl)-N-(3-piperidin-1-ylpropyl)benzamide
SMILESCSCc1cccc(C(=O)NCCCN2CCCCC2)c1
InChIInChI=1S/C17H26N2OS/c1-21-14-15-7-5-8-16(13-15)17(20)18-9-6-12-19-10-3-2-4-11-19/h5,7-8,13H,2-4,6,9-12,14H2,1H3,(H,18,20)
InChIKeyRXJVOLULESNJLF-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.16
Rot. Bonds7

About 3-(methylsulfanylmethyl)-N-(3-piperidin-1-ylpropyl)benzamide

3-(methylsulfanylmethyl)-N-(3-piperidin-1-ylpropyl)benzamide (PubChem CID 143176255) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)-N-(3-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)-N-(3-piperidin-1-ylpropyl)benzamide
PubChem CID143176255
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC Name3-(methylsulfanylmethyl)-N-(3-piperidin-1-ylpropyl)benzamide
SMILESCSCc1cccc(C(=O)NCCCN2CCCCC2)c1
InChIInChI=1S/C17H26N2OS/c1-21-14-15-7-5-8-16(13-15)17(20)18-9-6-12-19-10-3-2-4-11-19/h5,7-8,13H,2-4,6,9-12,14H2,1H3,(H,18,20)
InChIKeyRXJVOLULESNJLF-UHFFFAOYSA-N
XLogP3.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475
methyl 3-(3-piperidin-1-ylpropylcarbamoyl)benzoate
CID 11702224
3-[[[N-[3-(azepan-1-yl)propyl]-N'-methylcarbamimidoyl]amino]methyl]-N-propylbenzamide;hydroiodide
CID 111325467
3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 43020134
3-[2-[[N-[3-(azepan-1-yl)propyl]-N'-methylcarbamimidoyl]amino]ethyl]-N-methylbenzamide
CID 111632679
N-ethyl-3-(methylsulfanylmethyl)benzamide
CID 60667675
azepan-1-yl-[3-(methylsulfanylmethyl)phenyl]methanone
CID 60667458
3-[2-[[N-[3-(azepan-1-yl)propyl]-N'-methylcarbamimidoyl]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111632678
3-methyl-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 126477808
3-(azepan-1-ylmethyl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]benzamide
CID 118792731
4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 115769516
N'-(cyclohexanecarbonyl)-3-(methylsulfanylmethyl)benzohydrazide
CID 9327285

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)-N-(3-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 3-(methylsulfanylmethyl)-N-(3-piperidin-1-ylpropyl)benzamide (CID 143176255) is 3-(methylsulfanylmethyl)-N-(3-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-(methylsulfanylmethyl)-N-(3-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 3-(methylsulfanylmethyl)-N-(3-piperidin-1-ylpropyl)benzamide is CSCc1cccc(C(=O)NCCCN2CCCCC2)c1.
What is the InChIKey of 3-(methylsulfanylmethyl)-N-(3-piperidin-1-ylpropyl)benzamide?
The InChIKey is RXJVOLULESNJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-21-14-15-7-5-8-16(13-15)17(20)18-9-6-12-19-10-3-2-4-11-19/h5,7-8,13H,2-4,6,9-12,14H2,1H3,(H,18,20).
What are the key properties of 3-(methylsulfanylmethyl)-N-(3-piperidin-1-ylpropyl)benzamide?
3-(methylsulfanylmethyl)-N-(3-piperidin-1-ylpropyl)benzamide has a molecular weight of 306.48 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)-N-(3-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 143176255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).