4-[1-[(2R)-2-amino-3-methyl-3-methylsulfanylbutanoyl]piperidin-4-yl]-1-methylpyridin-2-one

C17H27N3O2S — CID 157011165

IUPAC4-[1-[(2R)-2-amino-3-methyl-3-methylsulfanylbutanoyl]piperidin-4-yl]-1-methylpyridin-2-one
SMILESCSC(C)(C)[C@H](N)C(=O)N1CCC(c2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C17H27N3O2S/c1-17(2,23-4)15(18)16(22)20-9-6-12(7-10-20)13-5-8-19(3)14(21)11-13/h5,8,11-12,15H,6-7,9-10,18H2,1-4H3/t15-/m1/s1
InChIKeyGPCYJHNSMACGIR-OAHLLOKOSA-N
MW337.49 g/mol
LogP1.56
Rot. Bonds4

About 4-[1-[(2R)-2-amino-3-methyl-3-methylsulfanylbutanoyl]piperidin-4-yl]-1-methylpyridin-2-one

4-[1-[(2R)-2-amino-3-methyl-3-methylsulfanylbutanoyl]piperidin-4-yl]-1-methylpyridin-2-one (PubChem CID 157011165) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 4-[1-[(2R)-2-amino-3-methyl-3-methylsulfanylbutanoyl]piperidin-4-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[1-[(2R)-2-amino-3-methyl-3-methylsulfanylbutanoyl]piperidin-4-yl]-1-methylpyridin-2-one
PubChem CID157011165
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name4-[1-[(2R)-2-amino-3-methyl-3-methylsulfanylbutanoyl]piperidin-4-yl]-1-methylpyridin-2-one
SMILESCSC(C)(C)[C@H](N)C(=O)N1CCC(c2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C17H27N3O2S/c1-17(2,23-4)15(18)16(22)20-9-6-12(7-10-20)13-5-8-19(3)14(21)11-13/h5,8,11-12,15H,6-7,9-10,18H2,1-4H3/t15-/m1/s1
InChIKeyGPCYJHNSMACGIR-OAHLLOKOSA-N
XLogP1.56
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-[(2R)-2-amino-3-methyl-3-methylsulfanylbutanoyl]piperidin-4-yl]-1-methylpyridin-2-one with MolForge

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Related Compounds

4-[1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138377733
4-[1-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138377841
4-[1-[(1S,3R,4R)-4-amino-3-hydroxycyclohexanecarbonyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 155493512
4-[1-[2-(3-chlorophenoxy)propanoyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138384238
4-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]-1-methylpyridin-2-one
CID 137345836
1-methyl-4-[1-(3-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]pyridin-2-one
CID 138382325
1-methyl-4-[1-[4-(2-methylpropyl)benzoyl]piperidin-4-yl]pyridin-2-one
CID 137343890
4-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138383113
1-methyl-4-piperidin-4-ylpyridin-2-one
CID 59627486
5-[4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 157011868
1-methyl-4-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carbonyl)piperidin-4-yl]pyridin-2-one
CID 154816986
1-methyl-4-[1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]pyridin-2-one
CID 138387811

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2R)-2-amino-3-methyl-3-methylsulfanylbutanoyl]piperidin-4-yl]-1-methylpyridin-2-one?
The IUPAC name of 4-[1-[(2R)-2-amino-3-methyl-3-methylsulfanylbutanoyl]piperidin-4-yl]-1-methylpyridin-2-one (CID 157011165) is 4-[1-[(2R)-2-amino-3-methyl-3-methylsulfanylbutanoyl]piperidin-4-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[1-[(2R)-2-amino-3-methyl-3-methylsulfanylbutanoyl]piperidin-4-yl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[1-[(2R)-2-amino-3-methyl-3-methylsulfanylbutanoyl]piperidin-4-yl]-1-methylpyridin-2-one is CSC(C)(C)[C@H](N)C(=O)N1CCC(c2ccn(C)c(=O)c2)CC1.
What is the InChIKey of 4-[1-[(2R)-2-amino-3-methyl-3-methylsulfanylbutanoyl]piperidin-4-yl]-1-methylpyridin-2-one?
The InChIKey is GPCYJHNSMACGIR-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-17(2,23-4)15(18)16(22)20-9-6-12(7-10-20)13-5-8-19(3)14(21)11-13/h5,8,11-12,15H,6-7,9-10,18H2,1-4H3/t15-/m1/s1.
What are the key properties of 4-[1-[(2R)-2-amino-3-methyl-3-methylsulfanylbutanoyl]piperidin-4-yl]-1-methylpyridin-2-one?
4-[1-[(2R)-2-amino-3-methyl-3-methylsulfanylbutanoyl]piperidin-4-yl]-1-methylpyridin-2-one has a molecular weight of 337.49 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2R)-2-amino-3-methyl-3-methylsulfanylbutanoyl]piperidin-4-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 157011165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).