1-(2-amino-2-oxoethyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide

C16H23N3O2S — CID 131888945

IUPAC1-(2-amino-2-oxoethyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
SMILESCCSc1ccccc1NC(=O)C1CCCN(CC(N)=O)C1
InChIInChI=1S/C16H23N3O2S/c1-2-22-14-8-4-3-7-13(14)18-16(21)12-6-5-9-19(10-12)11-15(17)20/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H2,17,20)(H,18,21)
InChIKeyNDVCSWMWQQDSDS-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.93
Rot. Bonds6

About 1-(2-amino-2-oxoethyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide

1-(2-amino-2-oxoethyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide (PubChem CID 131888945) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
PubChem CID131888945
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name1-(2-amino-2-oxoethyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
SMILESCCSc1ccccc1NC(=O)C1CCCN(CC(N)=O)C1
InChIInChI=1S/C16H23N3O2S/c1-2-22-14-8-4-3-7-13(14)18-16(21)12-6-5-9-19(10-12)11-15(17)20/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H2,17,20)(H,18,21)
InChIKeyNDVCSWMWQQDSDS-UHFFFAOYSA-N
XLogP1.93
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylsulfanylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46776821
N-(2-ethylsulfanylphenyl)cyclopentanecarboxamide
CID 94624117
(3R)-1-(benzenesulfonyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
CID 94624120
(3S)-1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
CID 93487559
ethyl (3S)-1-[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]piperidine-3-carboxylate
CID 9035095
(3R)-N-(2-ethylsulfanylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 100669876
N-(2-ethylsulfanylphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930614
(3R)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
CID 94013191
1-[(4-chlorophenyl)methyl]-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
CID 43924979
1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide
CID 99951546
1-[(2-chlorophenyl)methyl]-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide
CID 46776827
ethyl (3R)-1-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]piperidine-3-carboxylate
CID 8532262

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide (CID 131888945) is 1-(2-amino-2-oxoethyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide is CCSc1ccccc1NC(=O)C1CCCN(CC(N)=O)C1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide?
The InChIKey is NDVCSWMWQQDSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-2-22-14-8-4-3-7-13(14)18-16(21)12-6-5-9-19(10-12)11-15(17)20/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H2,17,20)(H,18,21).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide?
1-(2-amino-2-oxoethyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 131888945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).