3-amino-1-methyl-3-prop-2-ynylpiperidin-2-one

C9H14N2O — CID 118048800

IUPAC3-amino-1-methyl-3-prop-2-ynylpiperidin-2-one
SMILESC#CCC1(N)CCCN(C)C1=O
InChIInChI=1S/C9H14N2O/c1-3-5-9(10)6-4-7-11(2)8(9)12/h1H,4-7,10H2,2H3
InChIKeyIQVDBXWTUNTIPT-UHFFFAOYSA-N
MW166.22 g/mol
LogP-0.04
Rot. Bonds1

About 3-amino-1-methyl-3-prop-2-ynylpiperidin-2-one

3-amino-1-methyl-3-prop-2-ynylpiperidin-2-one (PubChem CID 118048800) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-amino-1-methyl-3-prop-2-ynylpiperidin-2-one.

Molecular Properties

Compound Name3-amino-1-methyl-3-prop-2-ynylpiperidin-2-one
PubChem CID118048800
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-amino-1-methyl-3-prop-2-ynylpiperidin-2-one
SMILESC#CCC1(N)CCCN(C)C1=O
InChIInChI=1S/C9H14N2O/c1-3-5-9(10)6-4-7-11(2)8(9)12/h1H,4-7,10H2,2H3
InChIKeyIQVDBXWTUNTIPT-UHFFFAOYSA-N
XLogP-0.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-3-prop-2-ynylpiperidin-2-one?
The IUPAC name of 3-amino-1-methyl-3-prop-2-ynylpiperidin-2-one (CID 118048800) is 3-amino-1-methyl-3-prop-2-ynylpiperidin-2-one.
What is the SMILES notation for 3-amino-1-methyl-3-prop-2-ynylpiperidin-2-one?
The canonical SMILES for 3-amino-1-methyl-3-prop-2-ynylpiperidin-2-one is C#CCC1(N)CCCN(C)C1=O.
What is the InChIKey of 3-amino-1-methyl-3-prop-2-ynylpiperidin-2-one?
The InChIKey is IQVDBXWTUNTIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-5-9(10)6-4-7-11(2)8(9)12/h1H,4-7,10H2,2H3.
What are the key properties of 3-amino-1-methyl-3-prop-2-ynylpiperidin-2-one?
3-amino-1-methyl-3-prop-2-ynylpiperidin-2-one has a molecular weight of 166.22 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-3-prop-2-ynylpiperidin-2-one is sourced from PubChem (CID 118048800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).