1-[2-(4-methylsulfanylphenyl)-2-oxoethyl]piperidine-2-carboxamide

C15H20N2O2S — CID 60680989

IUPAC1-[2-(4-methylsulfanylphenyl)-2-oxoethyl]piperidine-2-carboxamide
SMILESCSc1ccc(C(=O)CN2CCCCC2C(N)=O)cc1
InChIInChI=1S/C15H20N2O2S/c1-20-12-7-5-11(6-8-12)14(18)10-17-9-3-2-4-13(17)15(16)19/h5-8,13H,2-4,9-10H2,1H3,(H2,16,19)
InChIKeyPSSVEIBAZKBYOJ-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.93
Rot. Bonds5

About 1-[2-(4-methylsulfanylphenyl)-2-oxoethyl]piperidine-2-carboxamide

1-[2-(4-methylsulfanylphenyl)-2-oxoethyl]piperidine-2-carboxamide (PubChem CID 60680989) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[2-(4-methylsulfanylphenyl)-2-oxoethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methylsulfanylphenyl)-2-oxoethyl]piperidine-2-carboxamide
PubChem CID60680989
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name1-[2-(4-methylsulfanylphenyl)-2-oxoethyl]piperidine-2-carboxamide
SMILESCSc1ccc(C(=O)CN2CCCCC2C(N)=O)cc1
InChIInChI=1S/C15H20N2O2S/c1-20-12-7-5-11(6-8-12)14(18)10-17-9-3-2-4-13(17)15(16)19/h5-8,13H,2-4,9-10H2,1H3,(H2,16,19)
InChIKeyPSSVEIBAZKBYOJ-UHFFFAOYSA-N
XLogP1.93
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methylphenyl)-2-oxoethyl]piperidine-2-carboxamide
CID 60680985
1-phenacylpiperidine-2-carboxamide
CID 60681003
1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]piperidine-2-carboxamide
CID 60681090
1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-2-carboxamide
CID 62035887
1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]piperidine-2-carboxylic acid
CID 82224047
1-(2-oxo-2-thiophen-2-ylethyl)piperidine-2-carboxamide
CID 60680965
1-[2-(4-methylphenyl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 16770156
1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperidine-2-carboxamide
CID 60677071
1-[2-(2-ethoxyphenyl)-2-oxoethyl]piperidine-2-carboxamide
CID 62037237
1-[2-(4-methylsulfanylphenyl)-2-oxoethyl]piperidin-2-one
CID 62024658
1-(4-hydroxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228420
1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 82256579

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylsulfanylphenyl)-2-oxoethyl]piperidine-2-carboxamide?
The IUPAC name of 1-[2-(4-methylsulfanylphenyl)-2-oxoethyl]piperidine-2-carboxamide (CID 60680989) is 1-[2-(4-methylsulfanylphenyl)-2-oxoethyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[2-(4-methylsulfanylphenyl)-2-oxoethyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[2-(4-methylsulfanylphenyl)-2-oxoethyl]piperidine-2-carboxamide is CSc1ccc(C(=O)CN2CCCCC2C(N)=O)cc1.
What is the InChIKey of 1-[2-(4-methylsulfanylphenyl)-2-oxoethyl]piperidine-2-carboxamide?
The InChIKey is PSSVEIBAZKBYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-20-12-7-5-11(6-8-12)14(18)10-17-9-3-2-4-13(17)15(16)19/h5-8,13H,2-4,9-10H2,1H3,(H2,16,19).
What are the key properties of 1-[2-(4-methylsulfanylphenyl)-2-oxoethyl]piperidine-2-carboxamide?
1-[2-(4-methylsulfanylphenyl)-2-oxoethyl]piperidine-2-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylsulfanylphenyl)-2-oxoethyl]piperidine-2-carboxamide is sourced from PubChem (CID 60680989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).