2-butyl-4-(4-methylpiperazine-1-carbonyl)phthalazin-1-one

C18H24N4O2 — CID 9452362

IUPAC2-butyl-4-(4-methylpiperazine-1-carbonyl)phthalazin-1-one
SMILESCCCCn1nc(C(=O)N2CCN(C)CC2)c2ccccc2c1=O
InChIInChI=1S/C18H24N4O2/c1-3-4-9-22-17(23)15-8-6-5-7-14(15)16(19-22)18(24)21-12-10-20(2)11-13-21/h5-8H,3-4,9-13H2,1-2H3
InChIKeyXQSKPIWVEABBBV-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.58
Rot. Bonds4

About 2-butyl-4-(4-methylpiperazine-1-carbonyl)phthalazin-1-one

2-butyl-4-(4-methylpiperazine-1-carbonyl)phthalazin-1-one (PubChem CID 9452362) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-butyl-4-(4-methylpiperazine-1-carbonyl)phthalazin-1-one.

Molecular Properties

Compound Name2-butyl-4-(4-methylpiperazine-1-carbonyl)phthalazin-1-one
PubChem CID9452362
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-butyl-4-(4-methylpiperazine-1-carbonyl)phthalazin-1-one
SMILESCCCCn1nc(C(=O)N2CCN(C)CC2)c2ccccc2c1=O
InChIInChI=1S/C18H24N4O2/c1-3-4-9-22-17(23)15-8-6-5-7-14(15)16(19-22)18(24)21-12-10-20(2)11-13-21/h5-8H,3-4,9-13H2,1-2H3
InChIKeyXQSKPIWVEABBBV-UHFFFAOYSA-N
XLogP1.58
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phthalazin-1-one
CID 17428260
4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-2-pentylphthalazin-1-one
CID 17420770
4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]-2-pentylphthalazin-1-one
CID 56544691
1-(3-butyl-4-oxophthalazine-1-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433460
2-hexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phthalazin-1-one
CID 7928690
2-butyl-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 9146689
4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]-2-pentylphthalazin-1-one
CID 55496276
4-[4-(5-chloro-2-fluorobenzoyl)piperazine-1-carbonyl]-2-pentylphthalazin-1-one
CID 55716724
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-pentylphthalazin-1-one
CID 171630980
2-[4-(3-butyl-4-oxophthalazine-1-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 99164422
2-benzyl-4-(4-methyl-1,4-diazepane-1-carbonyl)phthalazin-1-one
CID 78769150
N-[1-(4-oxo-3-pentylphthalazine-1-carbonyl)piperidin-4-yl]methanesulfonamide
CID 55478167

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-(4-methylpiperazine-1-carbonyl)phthalazin-1-one?
The IUPAC name of 2-butyl-4-(4-methylpiperazine-1-carbonyl)phthalazin-1-one (CID 9452362) is 2-butyl-4-(4-methylpiperazine-1-carbonyl)phthalazin-1-one.
What is the SMILES notation for 2-butyl-4-(4-methylpiperazine-1-carbonyl)phthalazin-1-one?
The canonical SMILES for 2-butyl-4-(4-methylpiperazine-1-carbonyl)phthalazin-1-one is CCCCn1nc(C(=O)N2CCN(C)CC2)c2ccccc2c1=O.
What is the InChIKey of 2-butyl-4-(4-methylpiperazine-1-carbonyl)phthalazin-1-one?
The InChIKey is XQSKPIWVEABBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-4-9-22-17(23)15-8-6-5-7-14(15)16(19-22)18(24)21-12-10-20(2)11-13-21/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of 2-butyl-4-(4-methylpiperazine-1-carbonyl)phthalazin-1-one?
2-butyl-4-(4-methylpiperazine-1-carbonyl)phthalazin-1-one has a molecular weight of 328.42 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-(4-methylpiperazine-1-carbonyl)phthalazin-1-one is sourced from PubChem (CID 9452362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).