5-amino-6-(2-cyclopropylphenyl)-1-methylpiperidin-2-one

C15H20N2O — CID 79977730

IUPAC5-amino-6-(2-cyclopropylphenyl)-1-methylpiperidin-2-one
SMILESCN1C(=O)CCC(N)C1c1ccccc1C1CC1
InChIInChI=1S/C15H20N2O/c1-17-14(18)9-8-13(16)15(17)12-5-3-2-4-11(12)10-6-7-10/h2-5,10,13,15H,6-9,16H2,1H3
InChIKeyPGWKEVCHTMHSIF-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.18
Rot. Bonds2

About 5-amino-6-(2-cyclopropylphenyl)-1-methylpiperidin-2-one

5-amino-6-(2-cyclopropylphenyl)-1-methylpiperidin-2-one (PubChem CID 79977730) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-amino-6-(2-cyclopropylphenyl)-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-amino-6-(2-cyclopropylphenyl)-1-methylpiperidin-2-one
PubChem CID79977730
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-amino-6-(2-cyclopropylphenyl)-1-methylpiperidin-2-one
SMILESCN1C(=O)CCC(N)C1c1ccccc1C1CC1
InChIInChI=1S/C15H20N2O/c1-17-14(18)9-8-13(16)15(17)12-5-3-2-4-11(12)10-6-7-10/h2-5,10,13,15H,6-9,16H2,1H3
InChIKeyPGWKEVCHTMHSIF-UHFFFAOYSA-N
XLogP2.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-cyclopropylphenyl)-1-methylpiperidin-2-one?
The IUPAC name of 5-amino-6-(2-cyclopropylphenyl)-1-methylpiperidin-2-one (CID 79977730) is 5-amino-6-(2-cyclopropylphenyl)-1-methylpiperidin-2-one.
What is the SMILES notation for 5-amino-6-(2-cyclopropylphenyl)-1-methylpiperidin-2-one?
The canonical SMILES for 5-amino-6-(2-cyclopropylphenyl)-1-methylpiperidin-2-one is CN1C(=O)CCC(N)C1c1ccccc1C1CC1.
What is the InChIKey of 5-amino-6-(2-cyclopropylphenyl)-1-methylpiperidin-2-one?
The InChIKey is PGWKEVCHTMHSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-17-14(18)9-8-13(16)15(17)12-5-3-2-4-11(12)10-6-7-10/h2-5,10,13,15H,6-9,16H2,1H3.
What are the key properties of 5-amino-6-(2-cyclopropylphenyl)-1-methylpiperidin-2-one?
5-amino-6-(2-cyclopropylphenyl)-1-methylpiperidin-2-one has a molecular weight of 244.34 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-cyclopropylphenyl)-1-methylpiperidin-2-one is sourced from PubChem (CID 79977730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).