(3-ethoxy-5-phenylthiophen-2-yl)-[(3R,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone

C19H23NO3S — CID 97062901

IUPAC(3-ethoxy-5-phenylthiophen-2-yl)-[(3R,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone
SMILESCCOc1cc(-c2ccccc2)sc1C(=O)N1CC[C@H](C)[C@@H](O)C1
InChIInChI=1S/C19H23NO3S/c1-3-23-16-11-17(14-7-5-4-6-8-14)24-18(16)19(22)20-10-9-13(2)15(21)12-20/h4-8,11,13,15,21H,3,9-10,12H2,1-2H3/t13-,15-/m0/s1
InChIKeyDAGPMOHNETZANN-ZFWWWQNUSA-N
MW345.46 g/mol
LogP3.66
Rot. Bonds4

About (3-ethoxy-5-phenylthiophen-2-yl)-[(3R,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone

(3-ethoxy-5-phenylthiophen-2-yl)-[(3R,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone (PubChem CID 97062901) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is (3-ethoxy-5-phenylthiophen-2-yl)-[(3R,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethoxy-5-phenylthiophen-2-yl)-[(3R,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone
PubChem CID97062901
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name(3-ethoxy-5-phenylthiophen-2-yl)-[(3R,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone
SMILESCCOc1cc(-c2ccccc2)sc1C(=O)N1CC[C@H](C)[C@@H](O)C1
InChIInChI=1S/C19H23NO3S/c1-3-23-16-11-17(14-7-5-4-6-8-14)24-18(16)19(22)20-10-9-13(2)15(21)12-20/h4-8,11,13,15,21H,3,9-10,12H2,1-2H3/t13-,15-/m0/s1
InChIKeyDAGPMOHNETZANN-ZFWWWQNUSA-N
XLogP3.66
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethoxy-5-phenylthiophen-2-yl)-[(3R,4R)-3-hydroxy-4-methylpiperidin-1-yl]methanone
CID 97062903
3,9-diazabicyclo[4.2.1]nonan-3-yl-(3-ethoxy-5-phenylthiophen-2-yl)methanone;hydrochloride
CID 119635171
[(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-3-phenylmethoxythiophen-2-yl)methanone
CID 126790939
(2-amino-6-ethoxyphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102954877
1-[4-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56521653
N-[[1-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 52845992
(4-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone
CID 119375235
3-ethoxy-5-phenyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119449775
(3-methoxy-5-phenylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578955
3-ethoxy-N-(3-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide
CID 120557341
(3-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride
CID 119379893
(5-tert-butyl-3-ethoxythiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 167380315

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-5-phenylthiophen-2-yl)-[(3R,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone?
The IUPAC name of (3-ethoxy-5-phenylthiophen-2-yl)-[(3R,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone (CID 97062901) is (3-ethoxy-5-phenylthiophen-2-yl)-[(3R,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (3-ethoxy-5-phenylthiophen-2-yl)-[(3R,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone?
The canonical SMILES for (3-ethoxy-5-phenylthiophen-2-yl)-[(3R,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone is CCOc1cc(-c2ccccc2)sc1C(=O)N1CC[C@H](C)[C@@H](O)C1.
What is the InChIKey of (3-ethoxy-5-phenylthiophen-2-yl)-[(3R,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone?
The InChIKey is DAGPMOHNETZANN-ZFWWWQNUSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-3-23-16-11-17(14-7-5-4-6-8-14)24-18(16)19(22)20-10-9-13(2)15(21)12-20/h4-8,11,13,15,21H,3,9-10,12H2,1-2H3/t13-,15-/m0/s1.
What are the key properties of (3-ethoxy-5-phenylthiophen-2-yl)-[(3R,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone?
(3-ethoxy-5-phenylthiophen-2-yl)-[(3R,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone has a molecular weight of 345.46 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-5-phenylthiophen-2-yl)-[(3R,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 97062901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).