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

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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).