methyl 2-[5-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-2-yl]acetate

C15H24N2O2S — CID 82893926

IUPACmethyl 2-[5-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CNCC2CCCN(C)C2)s1
InChIInChI=1S/C15H24N2O2S/c1-17-7-3-4-12(11-17)9-16-10-14-6-5-13(20-14)8-15(18)19-2/h5-6,12,16H,3-4,7-11H2,1-2H3
InChIKeyOHGJVCXZXQZTBU-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.89
Rot. Bonds6

About methyl 2-[5-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-2-yl]acetate

methyl 2-[5-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-2-yl]acetate (PubChem CID 82893926) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is methyl 2-[5-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-2-yl]acetate
PubChem CID82893926
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Namemethyl 2-[5-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CNCC2CCCN(C)C2)s1
InChIInChI=1S/C15H24N2O2S/c1-17-7-3-4-12(11-17)9-16-10-14-6-5-13(20-14)8-15(18)19-2/h5-6,12,16H,3-4,7-11H2,1-2H3
InChIKeyOHGJVCXZXQZTBU-UHFFFAOYSA-N
XLogP1.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[5-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-2-yl]acetate with MolForge

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Related Compounds

methyl 2-[5-[[(3-hydroxycyclobutyl)methylamino]methyl]thiophen-2-yl]acetate
CID 82894526
2-[5-[[(1-methylpiperidin-4-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82894801
methyl 2-[5-[(3-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate
CID 82886497
2-[5-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 106023950
methyl 2-[5-[(cyclohexylamino)methyl]thiophen-2-yl]acetate
CID 82894760
methyl 2-[5-[(2-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate
CID 82887589
methyl 2-[5-[(1,4-dithian-2-ylmethylamino)methyl]thiophen-2-yl]acetate
CID 115908102
methyl 2-[5-[[(5-methylthiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 82894584
methyl 2-[5-[[[(1S)-1-cyclopentylethyl]amino]methyl]thiophen-2-yl]acetate
CID 82888205
1-cyclohexyl-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]methanamine
CID 53273821
2-[4-[[(1-methylpiperidin-3-yl)methylamino]methyl]phenyl]propanoic acid
CID 103244431
methyl 2-[5-[[[(2S)-2-hydroxypropyl]amino]methyl]thiophen-2-yl]acetate
CID 103923824

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-2-yl]acetate (CID 82893926) is methyl 2-[5-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-2-yl]acetate is COC(=O)Cc1ccc(CNCC2CCCN(C)C2)s1.
What is the InChIKey of methyl 2-[5-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-2-yl]acetate?
The InChIKey is OHGJVCXZXQZTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-17-7-3-4-12(11-17)9-16-10-14-6-5-13(20-14)8-15(18)19-2/h5-6,12,16H,3-4,7-11H2,1-2H3.
What are the key properties of methyl 2-[5-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-2-yl]acetate?
methyl 2-[5-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-2-yl]acetate has a molecular weight of 296.44 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-2-yl]acetate is sourced from PubChem (CID 82893926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).