7-(piperidine-3-carbonyl)-3,4-dihydro-2H-isoquinolin-1-one

C15H18N2O2 — CID 64813460

IUPAC7-(piperidine-3-carbonyl)-3,4-dihydro-2H-isoquinolin-1-one
SMILESO=C1NCCc2ccc(C(=O)C3CCCNC3)cc21
InChIInChI=1S/C15H18N2O2/c18-14(12-2-1-6-16-9-12)11-4-3-10-5-7-17-15(19)13(10)8-11/h3-4,8,12,16H,1-2,5-7,9H2,(H,17,19)
InChIKeyKUIFEGAZXDLZBG-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.15
Rot. Bonds2

About 7-(piperidine-3-carbonyl)-3,4-dihydro-2H-isoquinolin-1-one

7-(piperidine-3-carbonyl)-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 64813460) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 7-(piperidine-3-carbonyl)-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-(piperidine-3-carbonyl)-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID64813460
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name7-(piperidine-3-carbonyl)-3,4-dihydro-2H-isoquinolin-1-one
SMILESO=C1NCCc2ccc(C(=O)C3CCCNC3)cc21
InChIInChI=1S/C15H18N2O2/c18-14(12-2-1-6-16-9-12)11-4-3-10-5-7-17-15(19)13(10)8-11/h3-4,8,12,16H,1-2,5-7,9H2,(H,17,19)
InChIKeyKUIFEGAZXDLZBG-UHFFFAOYSA-N
XLogP1.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-(piperidine-3-carbonyl)-3,4-dihydro-2H-isoquinolin-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

N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)cyclopentanecarboxamide
CID 56764976
(3-bromo-4-fluorophenyl)-piperidin-3-ylmethanone
CID 79736726
(4-chloro-3-methylphenyl)-piperidin-3-ylmethanone
CID 82341467
[6-(piperidine-3-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanesulfinate
CID 175314753
cyclopentyl(2,3-dihydro-1H-indol-5-yl)methanone
CID 39243587
furan-3-yl(piperidin-3-yl)methanone
CID 116548121
piperidin-3-yl-[6-(trifluoromethoxy)naphthalen-2-yl]methanone
CID 177314079
piperidin-3-yl(pyridin-3-yl)methanone;dihydrochloride
CID 73012650
8-(2-chlorobenzoyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104525367
(3-ethoxyphenyl)-piperidin-3-ylmethanone
CID 116548107
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-3-yl)methanone
CID 116568338
8-(2,3-dimethylbutanoyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 113422794

Frequently Asked Questions

What is the IUPAC name of 7-(piperidine-3-carbonyl)-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 7-(piperidine-3-carbonyl)-3,4-dihydro-2H-isoquinolin-1-one (CID 64813460) is 7-(piperidine-3-carbonyl)-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 7-(piperidine-3-carbonyl)-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 7-(piperidine-3-carbonyl)-3,4-dihydro-2H-isoquinolin-1-one is O=C1NCCc2ccc(C(=O)C3CCCNC3)cc21.
What is the InChIKey of 7-(piperidine-3-carbonyl)-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is KUIFEGAZXDLZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-14(12-2-1-6-16-9-12)11-4-3-10-5-7-17-15(19)13(10)8-11/h3-4,8,12,16H,1-2,5-7,9H2,(H,17,19).
What are the key properties of 7-(piperidine-3-carbonyl)-3,4-dihydro-2H-isoquinolin-1-one?
7-(piperidine-3-carbonyl)-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 258.32 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(piperidine-3-carbonyl)-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 64813460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).