1-(6-amino-3-pyridinyl)-5-(dimethylamino)piperidin-2-one

C12H18N4O — CID 155282020

IUPAC1-(6-amino-3-pyridinyl)-5-(dimethylamino)piperidin-2-one
SMILESCN(C)C1CCC(=O)N(c2ccc(N)nc2)C1
InChIInChI=1S/C12H18N4O/c1-15(2)10-4-6-12(17)16(8-10)9-3-5-11(13)14-7-9/h3,5,7,10H,4,6,8H2,1-2H3,(H2,13,14)
InChIKeyAQBJXUKPROHYBB-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.72
Rot. Bonds2

About 1-(6-amino-3-pyridinyl)-5-(dimethylamino)piperidin-2-one

1-(6-amino-3-pyridinyl)-5-(dimethylamino)piperidin-2-one (PubChem CID 155282020) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(6-amino-3-pyridinyl)-5-(dimethylamino)piperidin-2-one.

Molecular Properties

Compound Name1-(6-amino-3-pyridinyl)-5-(dimethylamino)piperidin-2-one
PubChem CID155282020
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-(6-amino-3-pyridinyl)-5-(dimethylamino)piperidin-2-one
SMILESCN(C)C1CCC(=O)N(c2ccc(N)nc2)C1
InChIInChI=1S/C12H18N4O/c1-15(2)10-4-6-12(17)16(8-10)9-3-5-11(13)14-7-9/h3,5,7,10H,4,6,8H2,1-2H3,(H2,13,14)
InChIKeyAQBJXUKPROHYBB-UHFFFAOYSA-N
XLogP0.72
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-3-pyridinyl)-5-(dimethylamino)piperidin-2-one?
The IUPAC name of 1-(6-amino-3-pyridinyl)-5-(dimethylamino)piperidin-2-one (CID 155282020) is 1-(6-amino-3-pyridinyl)-5-(dimethylamino)piperidin-2-one.
What is the SMILES notation for 1-(6-amino-3-pyridinyl)-5-(dimethylamino)piperidin-2-one?
The canonical SMILES for 1-(6-amino-3-pyridinyl)-5-(dimethylamino)piperidin-2-one is CN(C)C1CCC(=O)N(c2ccc(N)nc2)C1.
What is the InChIKey of 1-(6-amino-3-pyridinyl)-5-(dimethylamino)piperidin-2-one?
The InChIKey is AQBJXUKPROHYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-15(2)10-4-6-12(17)16(8-10)9-3-5-11(13)14-7-9/h3,5,7,10H,4,6,8H2,1-2H3,(H2,13,14).
What are the key properties of 1-(6-amino-3-pyridinyl)-5-(dimethylamino)piperidin-2-one?
1-(6-amino-3-pyridinyl)-5-(dimethylamino)piperidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-3-pyridinyl)-5-(dimethylamino)piperidin-2-one is sourced from PubChem (CID 155282020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).