1-methyl-5-(phthalazin-1-ylamino)piperidin-2-one

C14H16N4O — CID 64669994

IUPAC1-methyl-5-(phthalazin-1-ylamino)piperidin-2-one
SMILESCN1CC(Nc2nncc3ccccc23)CCC1=O
InChIInChI=1S/C14H16N4O/c1-18-9-11(6-7-13(18)19)16-14-12-5-3-2-4-10(12)8-15-17-14/h2-5,8,11H,6-7,9H2,1H3,(H,16,17)
InChIKeyYMQASOAOAMITJE-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.66
Rot. Bonds2

About 1-methyl-5-(phthalazin-1-ylamino)piperidin-2-one

1-methyl-5-(phthalazin-1-ylamino)piperidin-2-one (PubChem CID 64669994) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-methyl-5-(phthalazin-1-ylamino)piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-(phthalazin-1-ylamino)piperidin-2-one
PubChem CID64669994
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-methyl-5-(phthalazin-1-ylamino)piperidin-2-one
SMILESCN1CC(Nc2nncc3ccccc23)CCC1=O
InChIInChI=1S/C14H16N4O/c1-18-9-11(6-7-13(18)19)16-14-12-5-3-2-4-10(12)8-15-17-14/h2-5,8,11H,6-7,9H2,1H3,(H,16,17)
InChIKeyYMQASOAOAMITJE-UHFFFAOYSA-N
XLogP1.66
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(phthalazin-1-ylamino)piperidin-2-one?
The IUPAC name of 1-methyl-5-(phthalazin-1-ylamino)piperidin-2-one (CID 64669994) is 1-methyl-5-(phthalazin-1-ylamino)piperidin-2-one.
What is the SMILES notation for 1-methyl-5-(phthalazin-1-ylamino)piperidin-2-one?
The canonical SMILES for 1-methyl-5-(phthalazin-1-ylamino)piperidin-2-one is CN1CC(Nc2nncc3ccccc23)CCC1=O.
What is the InChIKey of 1-methyl-5-(phthalazin-1-ylamino)piperidin-2-one?
The InChIKey is YMQASOAOAMITJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-18-9-11(6-7-13(18)19)16-14-12-5-3-2-4-10(12)8-15-17-14/h2-5,8,11H,6-7,9H2,1H3,(H,16,17).
What are the key properties of 1-methyl-5-(phthalazin-1-ylamino)piperidin-2-one?
1-methyl-5-(phthalazin-1-ylamino)piperidin-2-one has a molecular weight of 256.31 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(phthalazin-1-ylamino)piperidin-2-one is sourced from PubChem (CID 64669994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).