2-(5-ethylthiophen-2-yl)-1-(4-methylpiperidin-4-yl)ethanone

C14H21NOS — CID 116567731

IUPAC2-(5-ethylthiophen-2-yl)-1-(4-methylpiperidin-4-yl)ethanone
SMILESCCc1ccc(CC(=O)C2(C)CCNCC2)s1
InChIInChI=1S/C14H21NOS/c1-3-11-4-5-12(17-11)10-13(16)14(2)6-8-15-9-7-14/h4-5,15H,3,6-10H2,1-2H3
InChIKeyPWDKLDMYTRMKSS-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.81
Rot. Bonds4

About 2-(5-ethylthiophen-2-yl)-1-(4-methylpiperidin-4-yl)ethanone

2-(5-ethylthiophen-2-yl)-1-(4-methylpiperidin-4-yl)ethanone (PubChem CID 116567731) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-(4-methylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-(4-methylpiperidin-4-yl)ethanone
PubChem CID116567731
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name2-(5-ethylthiophen-2-yl)-1-(4-methylpiperidin-4-yl)ethanone
SMILESCCc1ccc(CC(=O)C2(C)CCNCC2)s1
InChIInChI=1S/C14H21NOS/c1-3-11-4-5-12(17-11)10-13(16)14(2)6-8-15-9-7-14/h4-5,15H,3,6-10H2,1-2H3
InChIKeyPWDKLDMYTRMKSS-UHFFFAOYSA-N
XLogP2.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-ethylthiophen-2-yl)-1-(3-methylpyrrolidin-3-yl)ethanone
CID 116570139
2-(5-ethylthiophen-2-yl)-1-(1-methylcyclohexyl)ethanone
CID 106829547
1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethanone
CID 116750094
[4-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methanol
CID 66024976
1-(5-ethylthiophen-2-yl)-3-piperidin-4-ylpropan-2-one
CID 116560034
2-(5-chlorothiophen-2-yl)-1-(1-methylcyclohexyl)ethanone
CID 106829545
1-(3-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone
CID 116569911
1-(2,2-dimethylcyclopropyl)-2-(5-ethylthiophen-2-yl)ethanone
CID 107003842
2-(4-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone
CID 116567626
1-(1-aminocyclopentyl)-3-(5-ethylthiophen-2-yl)propan-2-one
CID 116578854
2-(5-ethylthiophen-2-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone
CID 79059531
4-(5-ethylthiophen-2-yl)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 83929402

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(4-methylpiperidin-4-yl)ethanone?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(4-methylpiperidin-4-yl)ethanone (CID 116567731) is 2-(5-ethylthiophen-2-yl)-1-(4-methylpiperidin-4-yl)ethanone.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-(4-methylpiperidin-4-yl)ethanone?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-(4-methylpiperidin-4-yl)ethanone is CCc1ccc(CC(=O)C2(C)CCNCC2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-(4-methylpiperidin-4-yl)ethanone?
The InChIKey is PWDKLDMYTRMKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-3-11-4-5-12(17-11)10-13(16)14(2)6-8-15-9-7-14/h4-5,15H,3,6-10H2,1-2H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-(4-methylpiperidin-4-yl)ethanone?
2-(5-ethylthiophen-2-yl)-1-(4-methylpiperidin-4-yl)ethanone has a molecular weight of 251.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-(4-methylpiperidin-4-yl)ethanone is sourced from PubChem (CID 116567731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).