methyl 3-[(1-methylpiperidin-4-yl)methylamino]-3-thiophen-2-ylpropanoate

C15H24N2O2S — CID 62657315

IUPACmethyl 3-[(1-methylpiperidin-4-yl)methylamino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NCC1CCN(C)CC1)c1cccs1
InChIInChI=1S/C15H24N2O2S/c1-17-7-5-12(6-8-17)11-16-13(10-15(18)19-2)14-4-3-9-20-14/h3-4,9,12-13,16H,5-8,10-11H2,1-2H3
InChIKeyKZNLCVFCXJMXHB-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.28
Rot. Bonds6

About methyl 3-[(1-methylpiperidin-4-yl)methylamino]-3-thiophen-2-ylpropanoate

methyl 3-[(1-methylpiperidin-4-yl)methylamino]-3-thiophen-2-ylpropanoate (PubChem CID 62657315) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is methyl 3-[(1-methylpiperidin-4-yl)methylamino]-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(1-methylpiperidin-4-yl)methylamino]-3-thiophen-2-ylpropanoate
PubChem CID62657315
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Namemethyl 3-[(1-methylpiperidin-4-yl)methylamino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NCC1CCN(C)CC1)c1cccs1
InChIInChI=1S/C15H24N2O2S/c1-17-7-5-12(6-8-17)11-16-13(10-15(18)19-2)14-4-3-9-20-14/h3-4,9,12-13,16H,5-8,10-11H2,1-2H3
InChIKeyKZNLCVFCXJMXHB-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(1-methylpiperidin-4-yl)methylamino]-3-thiophen-2-ylpropanoate with MolForge

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Related Compounds

methyl 3-(cyclopropylmethylamino)-3-thiophen-2-ylpropanoate
CID 43725040
methyl 3-(cyclopropylamino)-3-thiophen-2-ylpropanoate
CID 103439049
methyl 3-(1-cyclopropylpropan-2-ylamino)-3-thiophen-2-ylpropanoate
CID 113489791
methyl 3-(pyrrolidin-3-ylamino)-3-thiophen-2-ylpropanoate
CID 79730826
methyl 3-[(2-hydroxyphenyl)methylamino]-3-thiophen-2-ylpropanoate
CID 43724977
tert-butyl 4-[(1-thiophen-2-ylpropylamino)methyl]piperidine-1-carboxylate
CID 103730198
methyl (3S)-3-(cyclohexylmethylsulfonylamino)-3-thiophen-2-ylpropanoate
CID 95733855
methyl 3-[(3-aminocyclopentanecarbonyl)amino]-3-thiophen-2-ylpropanoate
CID 66009978
4-[(1-thiophen-2-ylpropylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532736
methyl 3-(piperidine-4-carbonylamino)-3-thiophen-2-ylpropanoate
CID 43709862
methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate
CID 46493250
methyl 3-[(2-methoxyphenyl)methylamino]-3-thiophen-2-ylpropanoate
CID 43724941

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-methylpiperidin-4-yl)methylamino]-3-thiophen-2-ylpropanoate?
The IUPAC name of methyl 3-[(1-methylpiperidin-4-yl)methylamino]-3-thiophen-2-ylpropanoate (CID 62657315) is methyl 3-[(1-methylpiperidin-4-yl)methylamino]-3-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl 3-[(1-methylpiperidin-4-yl)methylamino]-3-thiophen-2-ylpropanoate?
The canonical SMILES for methyl 3-[(1-methylpiperidin-4-yl)methylamino]-3-thiophen-2-ylpropanoate is COC(=O)CC(NCC1CCN(C)CC1)c1cccs1.
What is the InChIKey of methyl 3-[(1-methylpiperidin-4-yl)methylamino]-3-thiophen-2-ylpropanoate?
The InChIKey is KZNLCVFCXJMXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-17-7-5-12(6-8-17)11-16-13(10-15(18)19-2)14-4-3-9-20-14/h3-4,9,12-13,16H,5-8,10-11H2,1-2H3.
What are the key properties of methyl 3-[(1-methylpiperidin-4-yl)methylamino]-3-thiophen-2-ylpropanoate?
methyl 3-[(1-methylpiperidin-4-yl)methylamino]-3-thiophen-2-ylpropanoate has a molecular weight of 296.44 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-methylpiperidin-4-yl)methylamino]-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 62657315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).