1-[4-(ethylaminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone

C14H22N2OS — CID 80552497

IUPAC1-[4-(ethylaminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCCNCC1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C14H22N2OS/c1-2-15-11-12-5-7-16(8-6-12)14(17)10-13-4-3-9-18-13/h3-4,9,12,15H,2,5-8,10-11H2,1H3
InChIKeyAZQLADYZZNNPGN-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.14
Rot. Bonds5

About 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone

1-[4-(ethylaminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 80552497) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-(ethylaminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID80552497
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-[4-(ethylaminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCCNCC1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C14H22N2OS/c1-2-15-11-12-5-7-16(8-6-12)14(17)10-13-4-3-9-18-13/h3-4,9,12,15H,2,5-8,10-11H2,1H3
InChIKeyAZQLADYZZNNPGN-UHFFFAOYSA-N
XLogP2.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119541022
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-[4-(1-aminoethyl)piperidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119519452
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 119647570
1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119411974
ethyl 4-oxo-4-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]amino]butanoate
CID 108565657
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone;hydrochloride
CID 119261261
1-[4-(4-acetylpiperazine-1-carbonyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 113003840
2-(2,6-dimethoxyphenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119646882
1-[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796443
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 108536457
2-(4-ethoxyphenyl)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108553940

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone (CID 80552497) is 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone is CCNCC1CCN(C(=O)Cc2cccs2)CC1.
What is the InChIKey of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is AZQLADYZZNNPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-2-15-11-12-5-7-16(8-6-12)14(17)10-13-4-3-9-18-13/h3-4,9,12,15H,2,5-8,10-11H2,1H3.
What are the key properties of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone?
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 266.41 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 80552497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).