[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone

C15H24N2O2 — CID 124684683

IUPAC[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone
SMILESCCc1oc(C(=O)N2CCC[C@H](C)[C@@H]2CN)cc1C
InChIInChI=1S/C15H24N2O2/c1-4-13-11(3)8-14(19-13)15(18)17-7-5-6-10(2)12(17)9-16/h8,10,12H,4-7,9,16H2,1-3H3/t10-,12-/m0/s1
InChIKeyDQOGXAWQEOVAJG-JQWIXIFHSA-N
MW264.37 g/mol
LogP2.35
Rot. Bonds3

About [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone

[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone (PubChem CID 124684683) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone
PubChem CID124684683
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone
SMILESCCc1oc(C(=O)N2CCC[C@H](C)[C@@H]2CN)cc1C
InChIInChI=1S/C15H24N2O2/c1-4-13-11(3)8-14(19-13)15(18)17-7-5-6-10(2)12(17)9-16/h8,10,12H,4-7,9,16H2,1-3H3/t10-,12-/m0/s1
InChIKeyDQOGXAWQEOVAJG-JQWIXIFHSA-N
XLogP2.35
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone?
The IUPAC name of [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone (CID 124684683) is [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone.
What is the SMILES notation for [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone?
The canonical SMILES for [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone is CCc1oc(C(=O)N2CCC[C@H](C)[C@@H]2CN)cc1C.
What is the InChIKey of [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone?
The InChIKey is DQOGXAWQEOVAJG-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-13-11(3)8-14(19-13)15(18)17-7-5-6-10(2)12(17)9-16/h8,10,12H,4-7,9,16H2,1-3H3/t10-,12-/m0/s1.
What are the key properties of [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone?
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone has a molecular weight of 264.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone is sourced from PubChem (CID 124684683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).