N-methyl-N-(2-phenylethyl)-2-piperidin-4-ylsulfanylacetamide

C16H24N2OS — CID 114627017

IUPACN-methyl-N-(2-phenylethyl)-2-piperidin-4-ylsulfanylacetamide
SMILESCN(CCc1ccccc1)C(=O)CSC1CCNCC1
InChIInChI=1S/C16H24N2OS/c1-18(12-9-14-5-3-2-4-6-14)16(19)13-20-15-7-10-17-11-8-15/h2-6,15,17H,7-13H2,1H3
InChIKeyFCGXGCYADGORQB-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.17
Rot. Bonds6

About N-methyl-N-(2-phenylethyl)-2-piperidin-4-ylsulfanylacetamide

N-methyl-N-(2-phenylethyl)-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114627017) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-methyl-N-(2-phenylethyl)-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-methyl-N-(2-phenylethyl)-2-piperidin-4-ylsulfanylacetamide
PubChem CID114627017
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-methyl-N-(2-phenylethyl)-2-piperidin-4-ylsulfanylacetamide
SMILESCN(CCc1ccccc1)C(=O)CSC1CCNCC1
InChIInChI=1S/C16H24N2OS/c1-18(12-9-14-5-3-2-4-6-14)16(19)13-20-15-7-10-17-11-8-15/h2-6,15,17H,7-13H2,1H3
InChIKeyFCGXGCYADGORQB-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-piperidin-4-ylsulfanyl-N-propylacetamide
CID 114626653
N-methyl-N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62674551
2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]benzoic acid
CID 114627152
N-methyl-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide
CID 61365250
N-methyl-2-piperidin-4-ylsulfanyl-N-pyridin-2-ylacetamide
CID 114626507
N-benzyl-N-(cyanomethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627134
N-methyl-2-piperidin-4-ylsulfanyl-N-prop-2-enylacetamide
CID 114627920
N-methyl-N-(2-methylprop-2-enyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628092
N-methyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 43588756
N-methyl-2-piperidin-4-yl-N-(2-pyridin-3-ylethyl)acetamide
CID 115160701
N-benzyl-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119669861
2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide
CID 25375269

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenylethyl)-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-methyl-N-(2-phenylethyl)-2-piperidin-4-ylsulfanylacetamide (CID 114627017) is N-methyl-N-(2-phenylethyl)-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-methyl-N-(2-phenylethyl)-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-methyl-N-(2-phenylethyl)-2-piperidin-4-ylsulfanylacetamide is CN(CCc1ccccc1)C(=O)CSC1CCNCC1.
What is the InChIKey of N-methyl-N-(2-phenylethyl)-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is FCGXGCYADGORQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-18(12-9-14-5-3-2-4-6-14)16(19)13-20-15-7-10-17-11-8-15/h2-6,15,17H,7-13H2,1H3.
What are the key properties of N-methyl-N-(2-phenylethyl)-2-piperidin-4-ylsulfanylacetamide?
N-methyl-N-(2-phenylethyl)-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 292.45 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenylethyl)-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114627017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).