N-(1-propylpiperidin-4-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide

C16H25N3OS — CID 51090883

IUPACN-(1-propylpiperidin-4-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide
SMILESCCCN1CCC(NC(=O)CSCc2ccncc2)CC1
InChIInChI=1S/C16H25N3OS/c1-2-9-19-10-5-15(6-11-19)18-16(20)13-21-12-14-3-7-17-8-4-14/h3-4,7-8,15H,2,5-6,9-13H2,1H3,(H,18,20)
InChIKeyGTBWBUMKSDDFLY-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.31
Rot. Bonds7

About N-(1-propylpiperidin-4-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide

N-(1-propylpiperidin-4-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide (PubChem CID 51090883) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is N-(1-propylpiperidin-4-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(1-propylpiperidin-4-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide
PubChem CID51090883
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC NameN-(1-propylpiperidin-4-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide
SMILESCCCN1CCC(NC(=O)CSCc2ccncc2)CC1
InChIInChI=1S/C16H25N3OS/c1-2-9-19-10-5-15(6-11-19)18-16(20)13-21-12-14-3-7-17-8-4-14/h3-4,7-8,15H,2,5-6,9-13H2,1H3,(H,18,20)
InChIKeyGTBWBUMKSDDFLY-UHFFFAOYSA-N
XLogP2.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249951
N-(oxolan-3-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 86780877
2-[(4-bromophenyl)methylsulfanyl]-N-(1-methylpiperidin-4-yl)acetamide
CID 53278905
(2R)-2-methyl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]pentanamide
CID 95279933
2-(1,3-benzodioxol-5-yl)-N-(1-propylpiperidin-4-yl)acetamide
CID 86822757
N-(4-methylcyclohexyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 47005023
3-chloro-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 66484717
2-[(4-tert-butylphenyl)methylsulfanyl]-N-cyclopropylacetamide
CID 134017051
2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 55754018
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55981043
N-(1-propylpiperidin-4-yl)-4-(pyridin-4-ylsulfamoyl)benzamide
CID 55628674

Frequently Asked Questions

What is the IUPAC name of N-(1-propylpiperidin-4-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(1-propylpiperidin-4-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide (CID 51090883) is N-(1-propylpiperidin-4-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(1-propylpiperidin-4-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(1-propylpiperidin-4-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide is CCCN1CCC(NC(=O)CSCc2ccncc2)CC1.
What is the InChIKey of N-(1-propylpiperidin-4-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide?
The InChIKey is GTBWBUMKSDDFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-2-9-19-10-5-15(6-11-19)18-16(20)13-21-12-14-3-7-17-8-4-14/h3-4,7-8,15H,2,5-6,9-13H2,1H3,(H,18,20).
What are the key properties of N-(1-propylpiperidin-4-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide?
N-(1-propylpiperidin-4-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide has a molecular weight of 307.46 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propylpiperidin-4-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 51090883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).