1-(4-methylphthalazin-1-yl)piperidin-4-one

C14H15N3O — CID 43395101

IUPAC1-(4-methylphthalazin-1-yl)piperidin-4-one
SMILESCc1nnc(N2CCC(=O)CC2)c2ccccc12
InChIInChI=1S/C14H15N3O/c1-10-12-4-2-3-5-13(12)14(16-15-10)17-8-6-11(18)7-9-17/h2-5H,6-9H2,1H3
InChIKeyQTQSPHBUDRSTHN-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.11
Rot. Bonds1

About 1-(4-methylphthalazin-1-yl)piperidin-4-one

1-(4-methylphthalazin-1-yl)piperidin-4-one (PubChem CID 43395101) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(4-methylphthalazin-1-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(4-methylphthalazin-1-yl)piperidin-4-one
PubChem CID43395101
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-(4-methylphthalazin-1-yl)piperidin-4-one
SMILESCc1nnc(N2CCC(=O)CC2)c2ccccc12
InChIInChI=1S/C14H15N3O/c1-10-12-4-2-3-5-13(12)14(16-15-10)17-8-6-11(18)7-9-17/h2-5H,6-9H2,1H3
InChIKeyQTQSPHBUDRSTHN-UHFFFAOYSA-N
XLogP2.11
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphthalazin-1-yl)piperidin-4-one?
The IUPAC name of 1-(4-methylphthalazin-1-yl)piperidin-4-one (CID 43395101) is 1-(4-methylphthalazin-1-yl)piperidin-4-one.
What is the SMILES notation for 1-(4-methylphthalazin-1-yl)piperidin-4-one?
The canonical SMILES for 1-(4-methylphthalazin-1-yl)piperidin-4-one is Cc1nnc(N2CCC(=O)CC2)c2ccccc12.
What is the InChIKey of 1-(4-methylphthalazin-1-yl)piperidin-4-one?
The InChIKey is QTQSPHBUDRSTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-12-4-2-3-5-13(12)14(16-15-10)17-8-6-11(18)7-9-17/h2-5H,6-9H2,1H3.
What are the key properties of 1-(4-methylphthalazin-1-yl)piperidin-4-one?
1-(4-methylphthalazin-1-yl)piperidin-4-one has a molecular weight of 241.29 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphthalazin-1-yl)piperidin-4-one is sourced from PubChem (CID 43395101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).