2-piperidin-3-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-3H-isoindol-1-one

C22H25N3O — CID 170163332

IUPAC2-piperidin-3-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-3H-isoindol-1-one
SMILESO=C1c2ccc(C3CCNc4ccccc43)cc2CN1C1CCCNC1
InChIInChI=1S/C22H25N3O/c26-22-19-8-7-15(18-9-11-24-21-6-2-1-5-20(18)21)12-16(19)14-25(22)17-4-3-10-23-13-17/h1-2,5-8,12,17-18,23-24H,3-4,9-11,13-14H2
InChIKeyCDCPLYXYNMZHQP-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.34
Rot. Bonds2

About 2-piperidin-3-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-3H-isoindol-1-one

2-piperidin-3-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-3H-isoindol-1-one (PubChem CID 170163332) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-piperidin-3-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-piperidin-3-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-3H-isoindol-1-one
PubChem CID170163332
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name2-piperidin-3-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-3H-isoindol-1-one
SMILESO=C1c2ccc(C3CCNc4ccccc43)cc2CN1C1CCCNC1
InChIInChI=1S/C22H25N3O/c26-22-19-8-7-15(18-9-11-24-21-6-2-1-5-20(18)21)12-16(19)14-25(22)17-4-3-10-23-13-17/h1-2,5-8,12,17-18,23-24H,3-4,9-11,13-14H2
InChIKeyCDCPLYXYNMZHQP-UHFFFAOYSA-N
XLogP3.34
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-piperidin-3-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-3H-isoindol-1-one with MolForge

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Related Compounds

ML SA1
CID 2880983
N-(2,4-Dimethyl-phenyl)-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetamide
CID 2785144
(3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
CID 9798466
1-(5-(4-phenylpiperazin-1-yl)pentyl)benzo[cd]indol-2(1H)-one
CID 9843889
(2S)-N-[2-(5-fluoro-2,3-dihydro-1H-indol-1-yl)ethyl]-4-methyl-2-[(3-methylphenyl)formamido]pentanamide
CID 11200735
N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-2-naphthamide
CID 25105704
N-Cyclopropyl-4-Methyl-3-(2'-Oxo-1',2'-Dihydrospiro[cyclopentane-1,3'-Indol]-6'-Yl)benzamide
CID 44251218
Lumateperone N-Desmethyl
CID 21302486
N-cyclopropyl-4-methyl-3-(2-oxospiro[1H-indole-3,1'-cyclohexane]-6-yl)benzamide
CID 44250342
1-(2-amino-4-fluorophenyl)-4-[(10R,15S)-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-trien-12-yl]butan-1-one
CID 44378003
1-(2-aminophenyl)-4-[(10R,15S)-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-trien-12-yl]butan-1-one
CID 44378016
2-methyl-N-((1-(4-phenylpiperazin-1-yl)cyclohexyl)methyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 71625847

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-3H-isoindol-1-one?
The IUPAC name of 2-piperidin-3-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-3H-isoindol-1-one (CID 170163332) is 2-piperidin-3-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-3H-isoindol-1-one.
What is the SMILES notation for 2-piperidin-3-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-3H-isoindol-1-one?
The canonical SMILES for 2-piperidin-3-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-3H-isoindol-1-one is O=C1c2ccc(C3CCNc4ccccc43)cc2CN1C1CCCNC1.
What is the InChIKey of 2-piperidin-3-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-3H-isoindol-1-one?
The InChIKey is CDCPLYXYNMZHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c26-22-19-8-7-15(18-9-11-24-21-6-2-1-5-20(18)21)12-16(19)14-25(22)17-4-3-10-23-13-17/h1-2,5-8,12,17-18,23-24H,3-4,9-11,13-14H2.
What are the key properties of 2-piperidin-3-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-3H-isoindol-1-one?
2-piperidin-3-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-3H-isoindol-1-one has a molecular weight of 347.46 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-3H-isoindol-1-one is sourced from PubChem (CID 170163332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).