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

C15H22N2O2S — CID 114626715

IUPACN-[2-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCOCc1ccccc1NC(=O)CSC1CCNCC1
InChIInChI=1S/C15H22N2O2S/c1-19-10-12-4-2-3-5-14(12)17-15(18)11-20-13-6-8-16-9-7-13/h2-5,13,16H,6-11H2,1H3,(H,17,18)
InChIKeyDVFAMYROJHJVMU-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.26
Rot. Bonds6

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

N-[2-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114626715) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[2-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide
PubChem CID114626715
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-[2-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCOCc1ccccc1NC(=O)CSC1CCNCC1
InChIInChI=1S/C15H22N2O2S/c1-19-10-12-4-2-3-5-14(12)17-15(18)11-20-13-6-8-16-9-7-13/h2-5,13,16H,6-11H2,1H3,(H,17,18)
InChIKeyDVFAMYROJHJVMU-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-[2-(hydroxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626808
methyl 2-[(2-piperidin-4-ylsulfanylacetyl)amino]benzoate
CID 114626637
N-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]benzamide
CID 114626484
N-[3-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626703
N-[2-(methoxymethyl)phenyl]pyrrolidine-3-carboxamide
CID 63007076
N-(3-chloro-2-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114626532
N-(2-ethyl-6-methylphenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114626374
N-(4-ethylphenyl)-2-piperidin-4-ylsulfanylacetamide
CID 82181207
N-[2-(methoxymethyl)phenyl]azepane-2-carboxamide
CID 64563598
N-(1-methylpyrazol-3-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114626846
2-piperidin-4-ylsulfanyl-N-pyridazin-3-ylacetamide
CID 114628128
(2S,4S)-N-[2-(methoxymethyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120622248

Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-[2-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide (CID 114626715) is N-[2-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[2-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-[2-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide is COCc1ccccc1NC(=O)CSC1CCNCC1.
What is the InChIKey of N-[2-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is DVFAMYROJHJVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-19-10-12-4-2-3-5-14(12)17-15(18)11-20-13-6-8-16-9-7-13/h2-5,13,16H,6-11H2,1H3,(H,17,18).
What are the key properties of N-[2-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide?
N-[2-(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-[2-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114626715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).