N-(2-methoxyphenyl)-2-(piperidin-3-ylmethylsulfanyl)acetamide

C15H22N2O2S — CID 82182065

IUPACN-(2-methoxyphenyl)-2-(piperidin-3-ylmethylsulfanyl)acetamide
SMILESCOc1ccccc1NC(=O)CSCC1CCCNC1
InChIInChI=1S/C15H22N2O2S/c1-19-14-7-3-2-6-13(14)17-15(18)11-20-10-12-5-4-8-16-9-12/h2-3,6-7,12,16H,4-5,8-11H2,1H3,(H,17,18)
InChIKeySBPUAJWBQWUBGM-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.37
Rot. Bonds6

About N-(2-methoxyphenyl)-2-(piperidin-3-ylmethylsulfanyl)acetamide

N-(2-methoxyphenyl)-2-(piperidin-3-ylmethylsulfanyl)acetamide (PubChem CID 82182065) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(piperidin-3-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(piperidin-3-ylmethylsulfanyl)acetamide
PubChem CID82182065
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(2-methoxyphenyl)-2-(piperidin-3-ylmethylsulfanyl)acetamide
SMILESCOc1ccccc1NC(=O)CSCC1CCCNC1
InChIInChI=1S/C15H22N2O2S/c1-19-14-7-3-2-6-13(14)17-15(18)11-20-10-12-5-4-8-16-9-12/h2-3,6-7,12,16H,4-5,8-11H2,1H3,(H,17,18)
InChIKeySBPUAJWBQWUBGM-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
N-cyclohexyl-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 40588524
2-cyclohexyl-N-(2-methoxyphenyl)acetamide
CID 880879
2-piperidin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 62689510
N-(2-methoxy-5-methylphenyl)-2-piperidin-3-ylacetamide
CID 62689682
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 1251511
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
N-(2-acetylphenyl)-2-(azetidin-3-ylmethylsulfanyl)acetamide
CID 66288630
2-(azetidin-3-ylmethylsulfanyl)-N-(2-fluorophenyl)acetamide
CID 66288434
N-(2-methoxyphenyl)-2-(piperidin-4-ylmethoxy)acetamide
CID 39062990
4-methoxy-3-[(2-piperidin-3-ylacetyl)amino]benzamide
CID 62674715
2-[[2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]-2-methylpropanoic acid
CID 82033021

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(piperidin-3-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(piperidin-3-ylmethylsulfanyl)acetamide (CID 82182065) is N-(2-methoxyphenyl)-2-(piperidin-3-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(piperidin-3-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(piperidin-3-ylmethylsulfanyl)acetamide is COc1ccccc1NC(=O)CSCC1CCCNC1.
What is the InChIKey of N-(2-methoxyphenyl)-2-(piperidin-3-ylmethylsulfanyl)acetamide?
The InChIKey is SBPUAJWBQWUBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-19-14-7-3-2-6-13(14)17-15(18)11-20-10-12-5-4-8-16-9-12/h2-3,6-7,12,16H,4-5,8-11H2,1H3,(H,17,18).
What are the key properties of N-(2-methoxyphenyl)-2-(piperidin-3-ylmethylsulfanyl)acetamide?
N-(2-methoxyphenyl)-2-(piperidin-3-ylmethylsulfanyl)acetamide has a molecular weight of 294.42 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(piperidin-3-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 82182065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).