(2R)-2-amino-1-[(2R,4R)-2-ethenyl-4-methylpiperidin-1-yl]propan-1-one

C11H20N2O — CID 178127255

IUPAC(2R)-2-amino-1-[(2R,4R)-2-ethenyl-4-methylpiperidin-1-yl]propan-1-one
SMILESC=C[C@H]1C[C@H](C)CCN1C(=O)[C@@H](C)N
InChIInChI=1S/C11H20N2O/c1-4-10-7-8(2)5-6-13(10)11(14)9(3)12/h4,8-10H,1,5-7,12H2,2-3H3/t8-,9-,10+/m1/s1
InChIKeyZLJBLHKTYRTYIZ-BBBLOLIVSA-N
MW196.29 g/mol
LogP1.15
Rot. Bonds2

About (2R)-2-amino-1-[(2R,4R)-2-ethenyl-4-methylpiperidin-1-yl]propan-1-one

(2R)-2-amino-1-[(2R,4R)-2-ethenyl-4-methylpiperidin-1-yl]propan-1-one (PubChem CID 178127255) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (2R)-2-amino-1-[(2R,4R)-2-ethenyl-4-methylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[(2R,4R)-2-ethenyl-4-methylpiperidin-1-yl]propan-1-one
PubChem CID178127255
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(2R)-2-amino-1-[(2R,4R)-2-ethenyl-4-methylpiperidin-1-yl]propan-1-one
SMILESC=C[C@H]1C[C@H](C)CCN1C(=O)[C@@H](C)N
InChIInChI=1S/C11H20N2O/c1-4-10-7-8(2)5-6-13(10)11(14)9(3)12/h4,8-10H,1,5-7,12H2,2-3H3/t8-,9-,10+/m1/s1
InChIKeyZLJBLHKTYRTYIZ-BBBLOLIVSA-N
XLogP1.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[(2R,4R)-2-ethenyl-4-methylpiperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[(2R,4R)-2-ethenyl-4-methylpiperidin-1-yl]propan-1-one (CID 178127255) is (2R)-2-amino-1-[(2R,4R)-2-ethenyl-4-methylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[(2R,4R)-2-ethenyl-4-methylpiperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[(2R,4R)-2-ethenyl-4-methylpiperidin-1-yl]propan-1-one is C=C[C@H]1C[C@H](C)CCN1C(=O)[C@@H](C)N.
What is the InChIKey of (2R)-2-amino-1-[(2R,4R)-2-ethenyl-4-methylpiperidin-1-yl]propan-1-one?
The InChIKey is ZLJBLHKTYRTYIZ-BBBLOLIVSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-10-7-8(2)5-6-13(10)11(14)9(3)12/h4,8-10H,1,5-7,12H2,2-3H3/t8-,9-,10+/m1/s1.
What are the key properties of (2R)-2-amino-1-[(2R,4R)-2-ethenyl-4-methylpiperidin-1-yl]propan-1-one?
(2R)-2-amino-1-[(2R,4R)-2-ethenyl-4-methylpiperidin-1-yl]propan-1-one has a molecular weight of 196.29 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[(2R,4R)-2-ethenyl-4-methylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 178127255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).