[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methylfuran-2-yl)methanone

C13H20N2O2 — CID 95357633

IUPAC[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCC[C@@H](C)[C@H]1CN
InChIInChI=1S/C13H20N2O2/c1-9-4-3-6-15(11(9)8-14)13(16)12-10(2)5-7-17-12/h5,7,9,11H,3-4,6,8,14H2,1-2H3/t9-,11-/m1/s1
InChIKeyFCOSDWYCFIZSTA-MWLCHTKSSA-N
MW236.31 g/mol
LogP1.79
Rot. Bonds2

About [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methylfuran-2-yl)methanone

[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methylfuran-2-yl)methanone (PubChem CID 95357633) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methylfuran-2-yl)methanone
PubChem CID95357633
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCC[C@@H](C)[C@H]1CN
InChIInChI=1S/C13H20N2O2/c1-9-4-3-6-15(11(9)8-14)13(16)12-10(2)5-7-17-12/h5,7,9,11H,3-4,6,8,14H2,1-2H3/t9-,11-/m1/s1
InChIKeyFCOSDWYCFIZSTA-MWLCHTKSSA-N
XLogP1.79
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methylfuran-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 95357681
4-[(2R,3S)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide
CID 124696949
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone
CID 124684683
[(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 129372840
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-bromophenyl)methanone
CID 95357666
[2-(hydroxymethyl)azepan-1-yl]-(3-methylfuran-2-yl)methanone
CID 116636174
[2-(chloromethyl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 63395106
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 124576164
ethyl 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylate
CID 78915855
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705006
1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylic acid
CID 3150890
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(1-benzofuran-3-yl)methanone;hydrochloride
CID 119597356

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methylfuran-2-yl)methanone?
The IUPAC name of [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methylfuran-2-yl)methanone (CID 95357633) is [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methylfuran-2-yl)methanone.
What is the SMILES notation for [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methylfuran-2-yl)methanone?
The canonical SMILES for [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methylfuran-2-yl)methanone is Cc1ccoc1C(=O)N1CCC[C@@H](C)[C@H]1CN.
What is the InChIKey of [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methylfuran-2-yl)methanone?
The InChIKey is FCOSDWYCFIZSTA-MWLCHTKSSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-4-3-6-15(11(9)8-14)13(16)12-10(2)5-7-17-12/h5,7,9,11H,3-4,6,8,14H2,1-2H3/t9-,11-/m1/s1.
What are the key properties of [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methylfuran-2-yl)methanone?
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methylfuran-2-yl)methanone has a molecular weight of 236.31 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methylfuran-2-yl)methanone is sourced from PubChem (CID 95357633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).