1-(4-amino-3-ethylpiperidin-1-yl)-4-thiophen-2-ylbutan-1-one

C15H24N2OS — CID 81457987

IUPAC1-(4-amino-3-ethylpiperidin-1-yl)-4-thiophen-2-ylbutan-1-one
SMILESCCC1CN(C(=O)CCCc2cccs2)CCC1N
InChIInChI=1S/C15H24N2OS/c1-2-12-11-17(9-8-14(12)16)15(18)7-3-5-13-6-4-10-19-13/h4,6,10,12,14H,2-3,5,7-9,11,16H2,1H3
InChIKeyAKMDHUJKGOTSFF-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.66
Rot. Bonds5

About 1-(4-amino-3-ethylpiperidin-1-yl)-4-thiophen-2-ylbutan-1-one

1-(4-amino-3-ethylpiperidin-1-yl)-4-thiophen-2-ylbutan-1-one (PubChem CID 81457987) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-(4-amino-3-ethylpiperidin-1-yl)-4-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name1-(4-amino-3-ethylpiperidin-1-yl)-4-thiophen-2-ylbutan-1-one
PubChem CID81457987
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name1-(4-amino-3-ethylpiperidin-1-yl)-4-thiophen-2-ylbutan-1-one
SMILESCCC1CN(C(=O)CCCc2cccs2)CCC1N
InChIInChI=1S/C15H24N2OS/c1-2-12-11-17(9-8-14(12)16)15(18)7-3-5-13-6-4-10-19-13/h4,6,10,12,14H,2-3,5,7-9,11,16H2,1H3
InChIKeyAKMDHUJKGOTSFF-UHFFFAOYSA-N
XLogP2.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methylpiperidin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 102961373
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 113268887
1-[3-(aminomethyl)pyrrolidin-1-yl]-6-thiophen-2-ylhexan-1-one
CID 119484105
ethyl (3R)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxylate
CID 51681583
1-[(3R)-3-aminopyrrolidin-1-yl]-3-thiophen-2-ylpropan-1-one;hydrochloride
CID 119410848
1-(2-methylmorpholin-4-yl)-4-thiophen-2-ylbutan-1-one
CID 47016281
2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 78524240
3-methyl-1-(4-thiophen-2-ylbutanoyl)piperidin-4-one
CID 114499910
3-ethyl-1-(2-thiophen-2-ylethyl)piperidin-4-amine
CID 81459742
1-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 72849026
1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 95355874
(4aS,8aR)-1-propyl-6-(4-thiophen-2-ylbutanoyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56898397

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-ethylpiperidin-1-yl)-4-thiophen-2-ylbutan-1-one?
The IUPAC name of 1-(4-amino-3-ethylpiperidin-1-yl)-4-thiophen-2-ylbutan-1-one (CID 81457987) is 1-(4-amino-3-ethylpiperidin-1-yl)-4-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 1-(4-amino-3-ethylpiperidin-1-yl)-4-thiophen-2-ylbutan-1-one?
The canonical SMILES for 1-(4-amino-3-ethylpiperidin-1-yl)-4-thiophen-2-ylbutan-1-one is CCC1CN(C(=O)CCCc2cccs2)CCC1N.
What is the InChIKey of 1-(4-amino-3-ethylpiperidin-1-yl)-4-thiophen-2-ylbutan-1-one?
The InChIKey is AKMDHUJKGOTSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-2-12-11-17(9-8-14(12)16)15(18)7-3-5-13-6-4-10-19-13/h4,6,10,12,14H,2-3,5,7-9,11,16H2,1H3.
What are the key properties of 1-(4-amino-3-ethylpiperidin-1-yl)-4-thiophen-2-ylbutan-1-one?
1-(4-amino-3-ethylpiperidin-1-yl)-4-thiophen-2-ylbutan-1-one has a molecular weight of 280.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-ethylpiperidin-1-yl)-4-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 81457987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).