4-(1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl)-2H-phthalazin-1-one

C24H25N3O2 — CID 131895804

IUPAC4-(1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl)-2H-phthalazin-1-one
SMILESCC(C(=O)N1CCC2(CCc3ccccc32)CC1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C24H25N3O2/c1-16(21-18-7-3-4-8-19(18)22(28)26-25-21)23(29)27-14-12-24(13-15-27)11-10-17-6-2-5-9-20(17)24/h2-9,16H,10-15H2,1H3,(H,26,28)
InChIKeyMBPAAJKDYHVPTH-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.53
Rot. Bonds2

About 4-(1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl)-2H-phthalazin-1-one

4-(1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl)-2H-phthalazin-1-one (PubChem CID 131895804) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-(1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl)-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-(1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl)-2H-phthalazin-1-one
PubChem CID131895804
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name4-(1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl)-2H-phthalazin-1-one
SMILESCC(C(=O)N1CCC2(CCc3ccccc32)CC1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C24H25N3O2/c1-16(21-18-7-3-4-8-19(18)22(28)26-25-21)23(29)27-14-12-24(13-15-27)11-10-17-6-2-5-9-20(17)24/h2-9,16H,10-15H2,1H3,(H,26,28)
InChIKeyMBPAAJKDYHVPTH-UHFFFAOYSA-N
XLogP3.53
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl)-2H-phthalazin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(4-ethylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]-2H-phthalazin-1-one
CID 131950335
4-[(2R)-1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-2H-phthalazin-1-one
CID 97208178
4-[1-[4-(2,4-difluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2H-phthalazin-1-one
CID 131907658
4-[1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]-2H-phthalazin-1-one
CID 118778097
spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
CID 66954084
2-[3-[4-hydroxy-3-[(2R)-3-naphthalen-1-yl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-oxo-1H-imidazol-5-yl]propyl]guanidine
CID 91934583
1-benzyl-N,N-dimethyl-5-[2-(4-oxo-3H-phthalazin-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 45161297
2-[3-[(4R)-1-[(2R,3R)-3-methyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]-2,5-dioxoimidazolidin-4-yl]propyl]guanidine
CID 56658522
tert-butyl N-(2-oxo-1-phenyl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)carbamate
CID 67769577
2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethanone
CID 166613892
(6-methyl-3-pyridinyl)-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone
CID 97452662
2-amino-3-(5-methyl-1H-indol-3-yl)-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-1-one
CID 70342928

Frequently Asked Questions

What is the IUPAC name of 4-(1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl)-2H-phthalazin-1-one?
The IUPAC name of 4-(1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl)-2H-phthalazin-1-one (CID 131895804) is 4-(1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl)-2H-phthalazin-1-one.
What is the SMILES notation for 4-(1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl)-2H-phthalazin-1-one?
The canonical SMILES for 4-(1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl)-2H-phthalazin-1-one is CC(C(=O)N1CCC2(CCc3ccccc32)CC1)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 4-(1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl)-2H-phthalazin-1-one?
The InChIKey is MBPAAJKDYHVPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-16(21-18-7-3-4-8-19(18)22(28)26-25-21)23(29)27-14-12-24(13-15-27)11-10-17-6-2-5-9-20(17)24/h2-9,16H,10-15H2,1H3,(H,26,28).
What are the key properties of 4-(1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl)-2H-phthalazin-1-one?
4-(1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl)-2H-phthalazin-1-one has a molecular weight of 387.48 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl)-2H-phthalazin-1-one is sourced from PubChem (CID 131895804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).