[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone

C18H23NO2S — CID 25381246

IUPAC[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone
SMILESCCc1ccc(CN2CCC[C@H](C(=O)c3sccc3C)C2)o1
InChIInChI=1S/C18H23NO2S/c1-3-15-6-7-16(21-15)12-19-9-4-5-14(11-19)17(20)18-13(2)8-10-22-18/h6-8,10,14H,3-5,9,11-12H2,1-2H3/t14-/m0/s1
InChIKeyYWVYTEFXPUIBGI-AWEZNQCLSA-N
MW317.45 g/mol
LogP4.31
Rot. Bonds5

About [(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone

[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 25381246) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is [(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID25381246
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC Name[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone
SMILESCCc1ccc(CN2CCC[C@H](C(=O)c3sccc3C)C2)o1
InChIInChI=1S/C18H23NO2S/c1-3-15-6-7-16(21-15)12-19-9-4-5-14(11-19)17(20)18-13(2)8-10-22-18/h6-8,10,14H,3-5,9,11-12H2,1-2H3/t14-/m0/s1
InChIKeyYWVYTEFXPUIBGI-AWEZNQCLSA-N
XLogP4.31
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone
CID 45232578
[(3S)-1-[(2-hydroxy-6-methoxyphenyl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone
CID 42514125
[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone
CID 25449567
(3-methylthiophen-2-yl)-[(3R)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-yl]methanone
CID 25378657
ethyl 4-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]piperidine-1-carboxylate
CID 45217033
ethyl (3R)-1-[2-[2,2-bis(3-methylthiophen-2-yl)ethenoxy]ethyl]piperidine-3-carboxylate
CID 10598185
1-[(E)-4-(3-methylthiophen-2-yl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid;hydrochloride
CID 70359988
1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carbohydrazide
CID 54793677
(3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid;(E)-but-2-enedioic acid
CID 71664141
ethyl (3S)-1-[(5-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate
CID 81338404
[(3R)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 42516668
[(3S)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 42516670

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone (CID 25381246) is [(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone is CCc1ccc(CN2CCC[C@H](C(=O)c3sccc3C)C2)o1.
What is the InChIKey of [(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is YWVYTEFXPUIBGI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23NO2S/c1-3-15-6-7-16(21-15)12-19-9-4-5-14(11-19)17(20)18-13(2)8-10-22-18/h6-8,10,14H,3-5,9,11-12H2,1-2H3/t14-/m0/s1.
What are the key properties of [(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone?
[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 317.45 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 25381246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).