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

C18H28N4O2 — CID 66965507

IUPAC2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-(2-piperidin-1-ylethyl)propanamide
SMILESCC(C(=O)NCCN1CCCCC1)c1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C18H28N4O2/c1-13(17(23)19-9-12-22-10-5-2-6-11-22)16-14-7-3-4-8-15(14)18(24)21-20-16/h13H,2-12H2,1H3,(H,19,23)(H,21,24)
InChIKeyDDVXSGRUGAKLRE-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.35
Rot. Bonds5

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

2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-(2-piperidin-1-ylethyl)propanamide (PubChem CID 66965507) 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-(2-piperidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-(2-piperidin-1-ylethyl)propanamide
PubChem CID66965507
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-(2-piperidin-1-ylethyl)propanamide
SMILESCC(C(=O)NCCN1CCCCC1)c1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C18H28N4O2/c1-13(17(23)19-9-12-22-10-5-2-6-11-22)16-14-7-3-4-8-15(14)18(24)21-20-16/h13H,2-12H2,1H3,(H,19,23)(H,21,24)
InChIKeyDDVXSGRUGAKLRE-UHFFFAOYSA-N
XLogP1.35
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-(2-piperidin-1-ylethyl)propanamide?
The IUPAC name of 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-(2-piperidin-1-ylethyl)propanamide (CID 66965507) is 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-(2-piperidin-1-ylethyl)propanamide.
What is the SMILES notation for 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-(2-piperidin-1-ylethyl)propanamide?
The canonical SMILES for 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-(2-piperidin-1-ylethyl)propanamide is CC(C(=O)NCCN1CCCCC1)c1n[nH]c(=O)c2c1CCCC2.
What is the InChIKey of 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-(2-piperidin-1-ylethyl)propanamide?
The InChIKey is DDVXSGRUGAKLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13(17(23)19-9-12-22-10-5-2-6-11-22)16-14-7-3-4-8-15(14)18(24)21-20-16/h13H,2-12H2,1H3,(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-(2-piperidin-1-ylethyl)propanamide?
2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-(2-piperidin-1-ylethyl)propanamide has a molecular weight of 332.45 g/mol, XLogP of 1.35, 5 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-(2-piperidin-1-ylethyl)propanamide is sourced from PubChem (CID 66965507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).