(5-tert-butyl-3-ethoxythiophen-2-yl)-(4-methylpiperidin-1-yl)methanone

C17H27NO2S — CID 167380315

IUPAC(5-tert-butyl-3-ethoxythiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCCOc1cc(C(C)(C)C)sc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C17H27NO2S/c1-6-20-13-11-14(17(3,4)5)21-15(13)16(19)18-9-7-12(2)8-10-18/h11-12H,6-10H2,1-5H3
InChIKeyLKQCGGLKWJODSC-UHFFFAOYSA-N
MW309.48 g/mol
LogP4.32
Rot. Bonds3

About (5-tert-butyl-3-ethoxythiophen-2-yl)-(4-methylpiperidin-1-yl)methanone

(5-tert-butyl-3-ethoxythiophen-2-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 167380315) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is (5-tert-butyl-3-ethoxythiophen-2-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-tert-butyl-3-ethoxythiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID167380315
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC Name(5-tert-butyl-3-ethoxythiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCCOc1cc(C(C)(C)C)sc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C17H27NO2S/c1-6-20-13-11-14(17(3,4)5)21-15(13)16(19)18-9-7-12(2)8-10-18/h11-12H,6-10H2,1-5H3
InChIKeyLKQCGGLKWJODSC-UHFFFAOYSA-N
XLogP4.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethoxy-5-phenylthiophen-2-yl)-[(3R,4R)-3-hydroxy-4-methylpiperidin-1-yl]methanone
CID 97062903
(3-ethoxy-5-phenylthiophen-2-yl)-[(3R,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone
CID 97062901
(4-ethoxy-3-fluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 110762195
(3-amino-5-ethoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 81089765
3,9-diazabicyclo[4.2.1]nonan-3-yl-(3-ethoxy-5-phenylthiophen-2-yl)methanone;hydrochloride
CID 119635171
(3-chloro-4-ethoxy-5-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 78768166
(3-amino-5-ethoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 81092691
N-[(2-ethoxyphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777735
[4-ethoxy-1-[(2-methylphenyl)methyl]indol-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 42667282
(4-ethyl-5-methylthiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 78785729
(3-chloro-5-ethoxy-4-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanethione
CID 137059437
4-ethoxy-3-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 65386859

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-3-ethoxythiophen-2-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-tert-butyl-3-ethoxythiophen-2-yl)-(4-methylpiperidin-1-yl)methanone (CID 167380315) is (5-tert-butyl-3-ethoxythiophen-2-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-tert-butyl-3-ethoxythiophen-2-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-tert-butyl-3-ethoxythiophen-2-yl)-(4-methylpiperidin-1-yl)methanone is CCOc1cc(C(C)(C)C)sc1C(=O)N1CCC(C)CC1.
What is the InChIKey of (5-tert-butyl-3-ethoxythiophen-2-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is LKQCGGLKWJODSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-6-20-13-11-14(17(3,4)5)21-15(13)16(19)18-9-7-12(2)8-10-18/h11-12H,6-10H2,1-5H3.
What are the key properties of (5-tert-butyl-3-ethoxythiophen-2-yl)-(4-methylpiperidin-1-yl)methanone?
(5-tert-butyl-3-ethoxythiophen-2-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 309.48 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-3-ethoxythiophen-2-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 167380315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).