N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide

C24H33N3OS — CID 55743207

IUPACN-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide
SMILESCC1CC(C)CN(CCCCNC(=O)c2ccc(SCc3cccnc3)cc2)C1
InChIInChI=1S/C24H33N3OS/c1-19-14-20(2)17-27(16-19)13-4-3-12-26-24(28)22-7-9-23(10-8-22)29-18-21-6-5-11-25-15-21/h5-11,15,19-20H,3-4,12-14,16-18H2,1-2H3,(H,26,28)
InChIKeyYCWQJNPVPMHWPZ-UHFFFAOYSA-N
MW411.62 g/mol
LogP4.86
Rot. Bonds9

About N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide

N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide (PubChem CID 55743207) has the molecular formula C24H33N3OS and a molecular weight of 411.62 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide
PubChem CID55743207
Molecular FormulaC24H33N3OS
Molecular Weight411.62 g/mol
Exact Mass411.23
IUPAC NameN-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide
SMILESCC1CC(C)CN(CCCCNC(=O)c2ccc(SCc3cccnc3)cc2)C1
InChIInChI=1S/C24H33N3OS/c1-19-14-20(2)17-27(16-19)13-4-3-12-26-24(28)22-7-9-23(10-8-22)29-18-21-6-5-11-25-15-21/h5-11,15,19-20H,3-4,12-14,16-18H2,1-2H3,(H,26,28)
InChIKeyYCWQJNPVPMHWPZ-UHFFFAOYSA-N
XLogP4.86
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.62
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(methoxymethyl)benzamide
CID 51726434
4-(dimethylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide
CID 55735171
N-(4-hydroxy-2-methylpentyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide
CID 111448039
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-methoxybenzamide
CID 94123444
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(ethylsulfamoyl)benzamide
CID 55811483
N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 100628883
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(dimethylsulfamoyl)benzamide
CID 55782424
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 55782044
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 55735264
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-4-propan-2-ylbenzamide
CID 58977021
N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55746930
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-1H-pyrazole-5-carboxamide
CID 94823486

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide?
The IUPAC name of N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide (CID 55743207) is N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide is CC1CC(C)CN(CCCCNC(=O)c2ccc(SCc3cccnc3)cc2)C1.
What is the InChIKey of N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide?
The InChIKey is YCWQJNPVPMHWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3OS/c1-19-14-20(2)17-27(16-19)13-4-3-12-26-24(28)22-7-9-23(10-8-22)29-18-21-6-5-11-25-15-21/h5-11,15,19-20H,3-4,12-14,16-18H2,1-2H3,(H,26,28).
What are the key properties of N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide?
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide has a molecular weight of 411.62 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 55743207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).