1-[4-[(5-ethylthiophen-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone

C15H24N2O2S — CID 62346804

IUPAC1-[4-[(5-ethylthiophen-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone
SMILESCCc1ccc(CNC2CCN(C(=O)COC)CC2)s1
InChIInChI=1S/C15H24N2O2S/c1-3-13-4-5-14(20-13)10-16-12-6-8-17(9-7-12)15(18)11-19-2/h4-5,12,16H,3,6-11H2,1-2H3
InChIKeyIJLOTNGAPZLBKZ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.04
Rot. Bonds6

About 1-[4-[(5-ethylthiophen-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone

1-[4-[(5-ethylthiophen-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone (PubChem CID 62346804) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[4-[(5-ethylthiophen-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[(5-ethylthiophen-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone
PubChem CID62346804
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-[4-[(5-ethylthiophen-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone
SMILESCCc1ccc(CNC2CCN(C(=O)COC)CC2)s1
InChIInChI=1S/C15H24N2O2S/c1-3-13-4-5-14(20-13)10-16-12-6-8-17(9-7-12)15(18)11-19-2/h4-5,12,16H,3,6-11H2,1-2H3
InChIKeyIJLOTNGAPZLBKZ-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(5-ethylthiophen-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone with MolForge

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Related Compounds

1-[4-[(5-ethylthiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 62346982
1-[4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone
CID 102833978
2-methoxy-1-[4-[(4-methoxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43747536
1-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]-2-methoxyethanone
CID 43747533
1-[4-[(5-iodofuran-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone
CID 43791424
2-methoxy-1-[4-[(3-methylthiophen-2-yl)methylamino]piperidin-1-yl]ethanone
CID 43747569
1-ethylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidin-4-amine
CID 62346420
2-methoxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]ethanone
CID 43747634
N-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine
CID 43346127
1-[4-(2,2-dimethylpropylamino)piperidin-1-yl]-2-methoxyethanone
CID 61325359
1-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]piperidin-1-yl]-2-methoxyethanone
CID 81412783
methyl 2-[5-[(cyclohexylamino)methyl]thiophen-2-yl]acetate
CID 82894760

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-ethylthiophen-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[(5-ethylthiophen-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone (CID 62346804) is 1-[4-[(5-ethylthiophen-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[(5-ethylthiophen-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[(5-ethylthiophen-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone is CCc1ccc(CNC2CCN(C(=O)COC)CC2)s1.
What is the InChIKey of 1-[4-[(5-ethylthiophen-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone?
The InChIKey is IJLOTNGAPZLBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-13-4-5-14(20-13)10-16-12-6-8-17(9-7-12)15(18)11-19-2/h4-5,12,16H,3,6-11H2,1-2H3.
What are the key properties of 1-[4-[(5-ethylthiophen-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone?
1-[4-[(5-ethylthiophen-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 296.44 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-ethylthiophen-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 62346804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).