N-[4-(piperidin-4-ylmethylsulfanyl)phenyl]acetamide

C14H20N2OS — CID 82303870

IUPACN-[4-(piperidin-4-ylmethylsulfanyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC2CCNCC2)cc1
InChIInChI=1S/C14H20N2OS/c1-11(17)16-13-2-4-14(5-3-13)18-10-12-6-8-15-9-7-12/h2-5,12,15H,6-10H2,1H3,(H,16,17)
InChIKeyJBOUXUHMQLUCLX-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.74
Rot. Bonds4

About N-[4-(piperidin-4-ylmethylsulfanyl)phenyl]acetamide

N-[4-(piperidin-4-ylmethylsulfanyl)phenyl]acetamide (PubChem CID 82303870) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[4-(piperidin-4-ylmethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(piperidin-4-ylmethylsulfanyl)phenyl]acetamide
PubChem CID82303870
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-[4-(piperidin-4-ylmethylsulfanyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC2CCNCC2)cc1
InChIInChI=1S/C14H20N2OS/c1-11(17)16-13-2-4-14(5-3-13)18-10-12-6-8-15-9-7-12/h2-5,12,15H,6-10H2,1H3,(H,16,17)
InChIKeyJBOUXUHMQLUCLX-UHFFFAOYSA-N
XLogP2.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(pyrrolidin-3-ylmethylsulfanyl)phenyl]acetamide
CID 117033086
N-[4-(pyrrolidin-2-ylmethylsulfanyl)phenyl]acetamide
CID 82297605
N-(4-methylsulfanylphenyl)-3-piperidin-4-ylpropanamide
CID 62211363
acetylene;N-(4-cyclopropylsulfanylphenyl)acetamide;pyrrolidine
CID 143596211
2-(4-acetamidophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119443070
N-[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide
CID 86321304
2-(4-acetamidophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824897
N-[4-(2-cyclohexyl-2-oxoethyl)sulfanylphenyl]acetamide
CID 47138243
N-[4-(2-hydroxyethylsulfanyl)phenyl]acetamide
CID 611088
ethane;N-[4-[4-(thiiran-2-ylmethylsulfanyl)phenoxy]phenyl]acetamide
CID 145049440
N-(4-hydroxyphenyl)acetamide;piperazine
CID 67107882
N-[4-(2-sulfanylethylsulfanyl)phenyl]acetamide
CID 117033736

Frequently Asked Questions

What is the IUPAC name of N-[4-(piperidin-4-ylmethylsulfanyl)phenyl]acetamide?
The IUPAC name of N-[4-(piperidin-4-ylmethylsulfanyl)phenyl]acetamide (CID 82303870) is N-[4-(piperidin-4-ylmethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(piperidin-4-ylmethylsulfanyl)phenyl]acetamide?
The canonical SMILES for N-[4-(piperidin-4-ylmethylsulfanyl)phenyl]acetamide is CC(=O)Nc1ccc(SCC2CCNCC2)cc1.
What is the InChIKey of N-[4-(piperidin-4-ylmethylsulfanyl)phenyl]acetamide?
The InChIKey is JBOUXUHMQLUCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-11(17)16-13-2-4-14(5-3-13)18-10-12-6-8-15-9-7-12/h2-5,12,15H,6-10H2,1H3,(H,16,17).
What are the key properties of N-[4-(piperidin-4-ylmethylsulfanyl)phenyl]acetamide?
N-[4-(piperidin-4-ylmethylsulfanyl)phenyl]acetamide has a molecular weight of 264.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(piperidin-4-ylmethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 82303870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).