[(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone

C15H23NO3S — CID 133129645

IUPAC[(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone
SMILESCOCc1ccc(C(=O)N2CC[C@@](C)(O)C(C)(C)C2)s1
InChIInChI=1S/C15H23NO3S/c1-14(2)10-16(8-7-15(14,3)18)13(17)12-6-5-11(20-12)9-19-4/h5-6,18H,7-10H2,1-4H3/t15-/m1/s1
InChIKeyIGLBKSCIVSCEAZ-OAHLLOKOSA-N
MW297.42 g/mol
LogP2.52
Rot. Bonds3

About [(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone

[(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone (PubChem CID 133129645) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is [(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name[(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone
PubChem CID133129645
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name[(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone
SMILESCOCc1ccc(C(=O)N2CC[C@@](C)(O)C(C)(C)C2)s1
InChIInChI=1S/C15H23NO3S/c1-14(2)10-16(8-7-15(14,3)18)13(17)12-6-5-11(20-12)9-19-4/h5-6,18H,7-10H2,1-4H3/t15-/m1/s1
InChIKeyIGLBKSCIVSCEAZ-OAHLLOKOSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone with MolForge

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Related Compounds

(5-ethylthiophen-2-yl)-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone
CID 133119695
1-[6-hydroxy-4-[5-(methoxymethyl)thiophene-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 74241719
(3S)-1-(5-ethylthiophene-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020288
(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 103726749
(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-[5-(methoxymethyl)thiophen-2-yl]methanone
CID 72868232
[(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 133130629
5-(methoxymethyl)thiophene-2-carbonyl chloride
CID 21266024
1-(5-ethylthiophene-2-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133849
[(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone
CID 133120064
1-(5-ethylthiophene-2-carbonyl)-4-methylpiperidine-4-carbothioamide
CID 107160923
(3S,4R)-4-(4-fluorophenyl)-1-[5-(methoxymethyl)thiophene-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 70769150
[(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 42567720

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone?
The IUPAC name of [(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone (CID 133129645) is [(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone.
What is the SMILES notation for [(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone?
The canonical SMILES for [(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone is COCc1ccc(C(=O)N2CC[C@@](C)(O)C(C)(C)C2)s1.
What is the InChIKey of [(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone?
The InChIKey is IGLBKSCIVSCEAZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-14(2)10-16(8-7-15(14,3)18)13(17)12-6-5-11(20-12)9-19-4/h5-6,18H,7-10H2,1-4H3/t15-/m1/s1.
What are the key properties of [(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone?
[(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone has a molecular weight of 297.42 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone is sourced from PubChem (CID 133129645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).