4-(4-benzylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one

C30H33N3O4 — CID 15996596

IUPAC4-(4-benzylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one
SMILESCOc1cc2c(cc1OC)C(C(=O)N1CCC(Cc3ccccc3)CC1)C(c1cccnc1)N(C)C2=O
InChIInChI=1S/C30H33N3O4/c1-32-28(22-10-7-13-31-19-22)27(23-17-25(36-2)26(37-3)18-24(23)29(32)34)30(35)33-14-11-21(12-15-33)16-20-8-5-4-6-9-20/h4-10,13,17-19,21,27-28H,11-12,14-16H2,1-3H3
InChIKeyOYTWJQPNUBRGOL-UHFFFAOYSA-N
MW499.61 g/mol
LogP4.49
Rot. Bonds6

About 4-(4-benzylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one

4-(4-benzylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one (PubChem CID 15996596) has the molecular formula C30H33N3O4 and a molecular weight of 499.61 g/mol. Its IUPAC name is 4-(4-benzylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name4-(4-benzylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one
PubChem CID15996596
Molecular FormulaC30H33N3O4
Molecular Weight499.61 g/mol
Exact Mass499.25
IUPAC Name4-(4-benzylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one
SMILESCOc1cc2c(cc1OC)C(C(=O)N1CCC(Cc3ccccc3)CC1)C(c1cccnc1)N(C)C2=O
InChIInChI=1S/C30H33N3O4/c1-32-28(22-10-7-13-31-19-22)27(23-17-25(36-2)26(37-3)18-24(23)29(32)34)30(35)33-14-11-21(12-15-33)16-20-8-5-4-6-9-20/h4-10,13,17-19,21,27-28H,11-12,14-16H2,1-3H3
InChIKeyOYTWJQPNUBRGOL-UHFFFAOYSA-N
XLogP4.49
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-benzylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-pyridin-3-yl-3,4-dihydroisoquinolin-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

(3R,4S)-4-(4-benzylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydroisoquinolin-1-one
CID 98186625
6,7-dimethoxy-2-methyl-4-(3-methylpiperidine-1-carbonyl)-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one
CID 15999569
13-(4-benzylpiperidine-1-carbonyl)-10,11-dimethoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one
CID 20853122
(3S,4S)-6,7-dimethoxy-2-methyl-N-(3-morpholin-4-ylpropyl)-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 92654063
(3S,4S)-6,7-dimethoxy-2-methyl-1-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 92654067
1-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]piperidine-4-carboxamide
CID 4159047
13-(4-benzylpiperidine-1-carbonyl)-2,3-dimethoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one
CID 15999344
N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 22422059
(3R,4R)-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-4-(4-phenylpiperazine-1-carbonyl)-3,4-dihydroisoquinolin-1-one
CID 98183949
6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-4-(4-methylpiperazine-1-carbonyl)-3,4-dihydroisoquinolin-1-one
CID 4220985
(3S,4R)-6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-4-(4-methylpiperazine-1-carbonyl)-3,4-dihydroisoquinolin-1-one
CID 92653902
4-(azepane-1-carbonyl)-3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1-one
CID 22422359

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 4-(4-benzylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one (CID 15996596) is 4-(4-benzylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 4-(4-benzylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 4-(4-benzylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one is COc1cc2c(cc1OC)C(C(=O)N1CCC(Cc3ccccc3)CC1)C(c1cccnc1)N(C)C2=O.
What is the InChIKey of 4-(4-benzylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one?
The InChIKey is OYTWJQPNUBRGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O4/c1-32-28(22-10-7-13-31-19-22)27(23-17-25(36-2)26(37-3)18-24(23)29(32)34)30(35)33-14-11-21(12-15-33)16-20-8-5-4-6-9-20/h4-10,13,17-19,21,27-28H,11-12,14-16H2,1-3H3.
What are the key properties of 4-(4-benzylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one?
4-(4-benzylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one has a molecular weight of 499.61 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 15996596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).