5-amino-6-(6-methyl-3-pyridinyl)-1-propan-2-ylpiperidin-2-one

C14H21N3O — CID 104823745

IUPAC5-amino-6-(6-methyl-3-pyridinyl)-1-propan-2-ylpiperidin-2-one
SMILESCc1ccc(C2C(N)CCC(=O)N2C(C)C)cn1
InChIInChI=1S/C14H21N3O/c1-9(2)17-13(18)7-6-12(15)14(17)11-5-4-10(3)16-8-11/h4-5,8-9,12,14H,6-7,15H2,1-3H3
InChIKeyJVSZRHKFWCVPOP-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.79
Rot. Bonds2

About 5-amino-6-(6-methyl-3-pyridinyl)-1-propan-2-ylpiperidin-2-one

5-amino-6-(6-methyl-3-pyridinyl)-1-propan-2-ylpiperidin-2-one (PubChem CID 104823745) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-amino-6-(6-methyl-3-pyridinyl)-1-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name5-amino-6-(6-methyl-3-pyridinyl)-1-propan-2-ylpiperidin-2-one
PubChem CID104823745
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5-amino-6-(6-methyl-3-pyridinyl)-1-propan-2-ylpiperidin-2-one
SMILESCc1ccc(C2C(N)CCC(=O)N2C(C)C)cn1
InChIInChI=1S/C14H21N3O/c1-9(2)17-13(18)7-6-12(15)14(17)11-5-4-10(3)16-8-11/h4-5,8-9,12,14H,6-7,15H2,1-3H3
InChIKeyJVSZRHKFWCVPOP-UHFFFAOYSA-N
XLogP1.79
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(6-methyl-3-pyridinyl)-1-propan-2-ylpiperidin-2-one?
The IUPAC name of 5-amino-6-(6-methyl-3-pyridinyl)-1-propan-2-ylpiperidin-2-one (CID 104823745) is 5-amino-6-(6-methyl-3-pyridinyl)-1-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 5-amino-6-(6-methyl-3-pyridinyl)-1-propan-2-ylpiperidin-2-one?
The canonical SMILES for 5-amino-6-(6-methyl-3-pyridinyl)-1-propan-2-ylpiperidin-2-one is Cc1ccc(C2C(N)CCC(=O)N2C(C)C)cn1.
What is the InChIKey of 5-amino-6-(6-methyl-3-pyridinyl)-1-propan-2-ylpiperidin-2-one?
The InChIKey is JVSZRHKFWCVPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9(2)17-13(18)7-6-12(15)14(17)11-5-4-10(3)16-8-11/h4-5,8-9,12,14H,6-7,15H2,1-3H3.
What are the key properties of 5-amino-6-(6-methyl-3-pyridinyl)-1-propan-2-ylpiperidin-2-one?
5-amino-6-(6-methyl-3-pyridinyl)-1-propan-2-ylpiperidin-2-one has a molecular weight of 247.34 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 5-amino-6-(6-methyl-3-pyridinyl)-1-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 104823745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).