4-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one

C15H23N3O — CID 66966455

IUPAC4-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one
SMILESO=c1[nH]nc(CCN2CCCCC2)c2c1CCCC2
InChIInChI=1S/C15H23N3O/c19-15-13-7-3-2-6-12(13)14(16-17-15)8-11-18-9-4-1-5-10-18/h1-11H2,(H,17,19)
InChIKeyFQHDMDDGWASAAZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.68
Rot. Bonds3

About 4-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one

4-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one (PubChem CID 66966455) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one
PubChem CID66966455
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one
SMILESO=c1[nH]nc(CCN2CCCCC2)c2c1CCCC2
InChIInChI=1S/C15H23N3O/c19-15-13-7-3-2-6-12(13)14(16-17-15)8-11-18-9-4-1-5-10-18/h1-11H2,(H,17,19)
InChIKeyFQHDMDDGWASAAZ-UHFFFAOYSA-N
XLogP1.68
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The IUPAC name of 4-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one (CID 66966455) is 4-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one.
What is the SMILES notation for 4-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The canonical SMILES for 4-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one is O=c1[nH]nc(CCN2CCCCC2)c2c1CCCC2.
What is the InChIKey of 4-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The InChIKey is FQHDMDDGWASAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c19-15-13-7-3-2-6-12(13)14(16-17-15)8-11-18-9-4-1-5-10-18/h1-11H2,(H,17,19).
What are the key properties of 4-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
4-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one has a molecular weight of 261.37 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one is sourced from PubChem (CID 66966455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).