4-(4-methoxypiperidine-1-carbonyl)-2-propan-2-ylphthalazin-1-one

C18H23N3O3 — CID 56810545

IUPAC4-(4-methoxypiperidine-1-carbonyl)-2-propan-2-ylphthalazin-1-one
SMILESCOC1CCN(C(=O)c2nn(C(C)C)c(=O)c3ccccc23)CC1
InChIInChI=1S/C18H23N3O3/c1-12(2)21-17(22)15-7-5-4-6-14(15)16(19-21)18(23)20-10-8-13(24-3)9-11-20/h4-7,12-13H,8-11H2,1-3H3
InChIKeyABOMVPFEUUPDSU-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.23
Rot. Bonds3

About 4-(4-methoxypiperidine-1-carbonyl)-2-propan-2-ylphthalazin-1-one

4-(4-methoxypiperidine-1-carbonyl)-2-propan-2-ylphthalazin-1-one (PubChem CID 56810545) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-(4-methoxypiperidine-1-carbonyl)-2-propan-2-ylphthalazin-1-one.

Molecular Properties

Compound Name4-(4-methoxypiperidine-1-carbonyl)-2-propan-2-ylphthalazin-1-one
PubChem CID56810545
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name4-(4-methoxypiperidine-1-carbonyl)-2-propan-2-ylphthalazin-1-one
SMILESCOC1CCN(C(=O)c2nn(C(C)C)c(=O)c3ccccc23)CC1
InChIInChI=1S/C18H23N3O3/c1-12(2)21-17(22)15-7-5-4-6-14(15)16(19-21)18(23)20-10-8-13(24-3)9-11-20/h4-7,12-13H,8-11H2,1-3H3
InChIKeyABOMVPFEUUPDSU-UHFFFAOYSA-N
XLogP2.23
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-4-(4-methoxypiperidine-1-carbonyl)phthalazin-1-one
CID 56810543
4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-propan-2-ylphthalazin-1-one
CID 55536470
4-(4-methyl-1,4-diazepane-1-carbonyl)-2-propan-2-ylphthalazin-1-one
CID 78769386
4-(4-benzhydrylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one
CID 51545065
4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one
CID 78848532
1-morpholin-4-yl-2-[4-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 55447504
4-(3,5-dimethylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one
CID 119564265
4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one
CID 55563618
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one
CID 78781351
(3S)-3-methyl-1-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 124682748
2-propan-2-yl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)phthalazin-1-one
CID 2551523
2-propan-2-yl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phthalazin-1-one
CID 138999284

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxypiperidine-1-carbonyl)-2-propan-2-ylphthalazin-1-one?
The IUPAC name of 4-(4-methoxypiperidine-1-carbonyl)-2-propan-2-ylphthalazin-1-one (CID 56810545) is 4-(4-methoxypiperidine-1-carbonyl)-2-propan-2-ylphthalazin-1-one.
What is the SMILES notation for 4-(4-methoxypiperidine-1-carbonyl)-2-propan-2-ylphthalazin-1-one?
The canonical SMILES for 4-(4-methoxypiperidine-1-carbonyl)-2-propan-2-ylphthalazin-1-one is COC1CCN(C(=O)c2nn(C(C)C)c(=O)c3ccccc23)CC1.
What is the InChIKey of 4-(4-methoxypiperidine-1-carbonyl)-2-propan-2-ylphthalazin-1-one?
The InChIKey is ABOMVPFEUUPDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12(2)21-17(22)15-7-5-4-6-14(15)16(19-21)18(23)20-10-8-13(24-3)9-11-20/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 4-(4-methoxypiperidine-1-carbonyl)-2-propan-2-ylphthalazin-1-one?
4-(4-methoxypiperidine-1-carbonyl)-2-propan-2-ylphthalazin-1-one has a molecular weight of 329.40 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxypiperidine-1-carbonyl)-2-propan-2-ylphthalazin-1-one is sourced from PubChem (CID 56810545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).