N-[3-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide

C15H22N2O2S — CID 114626703

IUPACN-[3-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCOCc1cccc(NC(=O)CSC2CCNCC2)c1
InChIInChI=1S/C15H22N2O2S/c1-19-10-12-3-2-4-13(9-12)17-15(18)11-20-14-5-7-16-8-6-14/h2-4,9,14,16H,5-8,10-11H2,1H3,(H,17,18)
InChIKeyGPNMARGSJBVOTN-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.26
Rot. Bonds6

About N-[3-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide

N-[3-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114626703) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[3-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[3-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide
PubChem CID114626703
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-[3-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCOCc1cccc(NC(=O)CSC2CCNCC2)c1
InChIInChI=1S/C15H22N2O2S/c1-19-10-12-3-2-4-13(9-12)17-15(18)11-20-14-5-7-16-8-6-14/h2-4,9,14,16H,5-8,10-11H2,1H3,(H,17,18)
InChIKeyGPNMARGSJBVOTN-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-2-piperidin-4-ylsulfanylacetamide
CID 82181207
N-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114626426
2-(cyclopentylamino)-N-[3-(methoxymethyl)phenyl]acetamide
CID 60847107
3-(methoxymethyl)-N-(piperidin-4-ylmethyl)aniline
CID 79707110
(3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide
CID 81123662
N-[3-(methoxymethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119722274
N-[(3-methylphenyl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626861
N-(4-bromo-3-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627698
(2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119288736
2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(methoxymethyl)phenyl]acetamide
CID 33288226
(2R)-N-[3-(methoxymethyl)phenyl]piperidine-2-carboxamide
CID 103808988
N-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]benzamide
CID 114626484

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-[3-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide (CID 114626703) is N-[3-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[3-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-[3-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide is COCc1cccc(NC(=O)CSC2CCNCC2)c1.
What is the InChIKey of N-[3-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is GPNMARGSJBVOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-19-10-12-3-2-4-13(9-12)17-15(18)11-20-14-5-7-16-8-6-14/h2-4,9,14,16H,5-8,10-11H2,1H3,(H,17,18).
What are the key properties of N-[3-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide?
N-[3-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 294.42 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114626703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).