4-(3,5-dimethylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one

C18H24N4O2 — CID 119564265

IUPAC4-(3,5-dimethylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one
SMILESCC1CN(C(=O)c2nn(C(C)C)c(=O)c3ccccc23)CC(C)N1
InChIInChI=1S/C18H24N4O2/c1-11(2)22-17(23)15-8-6-5-7-14(15)16(20-22)18(24)21-9-12(3)19-13(4)10-21/h5-8,11-13,19H,9-10H2,1-4H3
InChIKeyCEMMQRNSWFSXRT-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.80
Rot. Bonds2

About 4-(3,5-dimethylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one

4-(3,5-dimethylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one (PubChem CID 119564265) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one.

Molecular Properties

Compound Name4-(3,5-dimethylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one
PubChem CID119564265
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name4-(3,5-dimethylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one
SMILESCC1CN(C(=O)c2nn(C(C)C)c(=O)c3ccccc23)CC(C)N1
InChIInChI=1S/C18H24N4O2/c1-11(2)22-17(23)15-8-6-5-7-14(15)16(20-22)18(24)21-9-12(3)19-13(4)10-21/h5-8,11-13,19H,9-10H2,1-4H3
InChIKeyCEMMQRNSWFSXRT-UHFFFAOYSA-N
XLogP1.80
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one
CID 78848532
4-(4-methoxypiperidine-1-carbonyl)-2-propan-2-ylphthalazin-1-one
CID 56810545
(3S)-3-methyl-1-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 124682748
4-(4-methyl-1,4-diazepane-1-carbonyl)-2-propan-2-ylphthalazin-1-one
CID 78769386
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one
CID 78781351
4-(4-benzhydrylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one
CID 51545065
1-morpholin-4-yl-2-[4-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 55447504
4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-propan-2-ylphthalazin-1-one
CID 55536470
(3,5-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone
CID 63873666
4-[4-(4-fluorophenyl)-1,4-diazepane-1-carbonyl]-2-propan-2-ylphthalazin-1-one
CID 87029858
4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one
CID 55563618
4-[(2S)-2-(aminomethyl)-4-methylpiperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one
CID 97325202

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one?
The IUPAC name of 4-(3,5-dimethylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one (CID 119564265) is 4-(3,5-dimethylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one.
What is the SMILES notation for 4-(3,5-dimethylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one?
The canonical SMILES for 4-(3,5-dimethylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one is CC1CN(C(=O)c2nn(C(C)C)c(=O)c3ccccc23)CC(C)N1.
What is the InChIKey of 4-(3,5-dimethylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one?
The InChIKey is CEMMQRNSWFSXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-11(2)22-17(23)15-8-6-5-7-14(15)16(20-22)18(24)21-9-12(3)19-13(4)10-21/h5-8,11-13,19H,9-10H2,1-4H3.
What are the key properties of 4-(3,5-dimethylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one?
4-(3,5-dimethylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one has a molecular weight of 328.42 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one is sourced from PubChem (CID 119564265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).