2-[2-(3-ethyl-4-phenylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide

C17H24N2O2S — CID 71866626

IUPAC2-[2-(3-ethyl-4-phenylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
SMILESCCC1CN(C(=O)CSCC(N)=O)CCC1c1ccccc1
InChIInChI=1S/C17H24N2O2S/c1-2-13-10-19(17(21)12-22-11-16(18)20)9-8-15(13)14-6-4-3-5-7-14/h3-7,13,15H,2,8-12H2,1H3,(H2,18,20)
InChIKeyMHDJOBGPGWMFOS-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.25
Rot. Bonds6

About 2-[2-(3-ethyl-4-phenylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide

2-[2-(3-ethyl-4-phenylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide (PubChem CID 71866626) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 2-[2-(3-ethyl-4-phenylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-(3-ethyl-4-phenylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
PubChem CID71866626
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name2-[2-(3-ethyl-4-phenylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
SMILESCCC1CN(C(=O)CSCC(N)=O)CCC1c1ccccc1
InChIInChI=1S/C17H24N2O2S/c1-2-13-10-19(17(21)12-22-11-16(18)20)9-8-15(13)14-6-4-3-5-7-14/h3-7,13,15H,2,8-12H2,1H3,(H2,18,20)
InChIKeyMHDJOBGPGWMFOS-UHFFFAOYSA-N
XLogP2.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]sulfanylacetamide
CID 60605411
3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)butan-1-one
CID 119817681
1-[(3S,4S)-3-ethyl-4-phenylpiperidin-1-yl]-2-propylsulfonylethanone
CID 95935278
1-(3-amino-4-phenylpiperidin-1-yl)butan-1-one
CID 165440593
3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-2-methylbutan-1-one
CID 120502202
1-(3-ethyl-4-phenylpiperidin-1-yl)-4-methylsulfonylbutan-1-one
CID 84585365
methyl N-[3-[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-oxopropyl]carbamate
CID 95935159
(2S)-2-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119817662
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-ethyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride
CID 119817666
1-(3-ethyl-4-phenylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 119817687
2-[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]acetic acid
CID 129434571
1-[(3S,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 95935284

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethyl-4-phenylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of 2-[2-(3-ethyl-4-phenylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide (CID 71866626) is 2-[2-(3-ethyl-4-phenylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-(3-ethyl-4-phenylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for 2-[2-(3-ethyl-4-phenylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide is CCC1CN(C(=O)CSCC(N)=O)CCC1c1ccccc1.
What is the InChIKey of 2-[2-(3-ethyl-4-phenylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide?
The InChIKey is MHDJOBGPGWMFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-2-13-10-19(17(21)12-22-11-16(18)20)9-8-15(13)14-6-4-3-5-7-14/h3-7,13,15H,2,8-12H2,1H3,(H2,18,20).
What are the key properties of 2-[2-(3-ethyl-4-phenylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide?
2-[2-(3-ethyl-4-phenylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide has a molecular weight of 320.46 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethyl-4-phenylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 71866626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).