(4-ethyl-5-methylthiophen-2-yl)-(4-methylpiperidin-1-yl)methanone

C14H21NOS — CID 78785729

IUPAC(4-ethyl-5-methylthiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCCc1cc(C(=O)N2CCC(C)CC2)sc1C
InChIInChI=1S/C14H21NOS/c1-4-12-9-13(17-11(12)3)14(16)15-7-5-10(2)6-8-15/h9-10H,4-8H2,1-3H3
InChIKeyGAZHYKXCIBGBLC-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.49
Rot. Bonds2

About (4-ethyl-5-methylthiophen-2-yl)-(4-methylpiperidin-1-yl)methanone

(4-ethyl-5-methylthiophen-2-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 78785729) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is (4-ethyl-5-methylthiophen-2-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethyl-5-methylthiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID78785729
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name(4-ethyl-5-methylthiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCCc1cc(C(=O)N2CCC(C)CC2)sc1C
InChIInChI=1S/C14H21NOS/c1-4-12-9-13(17-11(12)3)14(16)15-7-5-10(2)6-8-15/h9-10H,4-8H2,1-3H3
InChIKeyGAZHYKXCIBGBLC-UHFFFAOYSA-N
XLogP3.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 60634850
(3S)-1-(4-ethyl-5-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917459
(4-ethyl-5-methylthiophen-2-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95758886
2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-3-yl]acetic acid
CID 62689218
(4-ethyl-5-propylthiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 86877318
(4-amino-5-methylthiophen-2-yl)-(4-methylazepan-1-yl)methanone
CID 63624400
(4-methoxypiperidin-1-yl)-(5-methyl-4-propylthiophen-2-yl)methanone
CID 71943781
azetidin-1-yl-(5-methyl-4-propylthiophen-2-yl)methanone
CID 39959347
methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-3-carboxylate
CID 78919176
[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 55716288
(4-ethyl-5-methylthiophen-2-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 75463147
[4-(3-chlorophenyl)piperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 9146285

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-5-methylthiophen-2-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-ethyl-5-methylthiophen-2-yl)-(4-methylpiperidin-1-yl)methanone (CID 78785729) is (4-ethyl-5-methylthiophen-2-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-ethyl-5-methylthiophen-2-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-ethyl-5-methylthiophen-2-yl)-(4-methylpiperidin-1-yl)methanone is CCc1cc(C(=O)N2CCC(C)CC2)sc1C.
What is the InChIKey of (4-ethyl-5-methylthiophen-2-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is GAZHYKXCIBGBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-4-12-9-13(17-11(12)3)14(16)15-7-5-10(2)6-8-15/h9-10H,4-8H2,1-3H3.
What are the key properties of (4-ethyl-5-methylthiophen-2-yl)-(4-methylpiperidin-1-yl)methanone?
(4-ethyl-5-methylthiophen-2-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 251.39 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-5-methylthiophen-2-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 78785729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).