2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-(3-piperidin-1-ylpropyl)acetamide

C18H28N4O2 — CID 66966694

IUPAC2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-(3-piperidin-1-ylpropyl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2c1CCCC2)NCCCN1CCCCC1
InChIInChI=1S/C18H28N4O2/c23-17(19-9-6-12-22-10-4-1-5-11-22)13-16-14-7-2-3-8-15(14)18(24)21-20-16/h1-13H2,(H,19,23)(H,21,24)
InChIKeyDLGLRPJUMZXPNQ-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.18
Rot. Bonds6

About 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-(3-piperidin-1-ylpropyl)acetamide

2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-(3-piperidin-1-ylpropyl)acetamide (PubChem CID 66966694) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-(3-piperidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-(3-piperidin-1-ylpropyl)acetamide
PubChem CID66966694
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-(3-piperidin-1-ylpropyl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2c1CCCC2)NCCCN1CCCCC1
InChIInChI=1S/C18H28N4O2/c23-17(19-9-6-12-22-10-4-1-5-11-22)13-16-14-7-2-3-8-15(14)18(24)21-20-16/h1-13H2,(H,19,23)(H,21,24)
InChIKeyDLGLRPJUMZXPNQ-UHFFFAOYSA-N
XLogP1.18
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-(3-piperidin-1-ylpropyl)acetamide?
The IUPAC name of 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-(3-piperidin-1-ylpropyl)acetamide (CID 66966694) is 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-(3-piperidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-(3-piperidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-(3-piperidin-1-ylpropyl)acetamide is O=C(Cc1n[nH]c(=O)c2c1CCCC2)NCCCN1CCCCC1.
What is the InChIKey of 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-(3-piperidin-1-ylpropyl)acetamide?
The InChIKey is DLGLRPJUMZXPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c23-17(19-9-6-12-22-10-4-1-5-11-22)13-16-14-7-2-3-8-15(14)18(24)21-20-16/h1-13H2,(H,19,23)(H,21,24).
What are the key properties of 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-(3-piperidin-1-ylpropyl)acetamide?
2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-(3-piperidin-1-ylpropyl)acetamide has a molecular weight of 332.45 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-(3-piperidin-1-ylpropyl)acetamide is sourced from PubChem (CID 66966694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).