(3,5-dimethylpiperidin-1-yl)-[1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinolin-4-yl]methanone

C28H34N4O2 — CID 122174431

IUPAC(3,5-dimethylpiperidin-1-yl)-[1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinolin-4-yl]methanone
SMILESCOc1ccccc1N1CCN(c2ncc(C(=O)N3CC(C)CC(C)C3)c3ccccc23)CC1
InChIInChI=1S/C28H34N4O2/c1-20-16-21(2)19-32(18-20)28(33)24-17-29-27(23-9-5-4-8-22(23)24)31-14-12-30(13-15-31)25-10-6-7-11-26(25)34-3/h4-11,17,20-21H,12-16,18-19H2,1-3H3
InChIKeyZPRNXNQWUCJJMQ-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.69
Rot. Bonds4

About (3,5-dimethylpiperidin-1-yl)-[1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinolin-4-yl]methanone

(3,5-dimethylpiperidin-1-yl)-[1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinolin-4-yl]methanone (PubChem CID 122174431) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-[1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinolin-4-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-[1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinolin-4-yl]methanone
PubChem CID122174431
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC Name(3,5-dimethylpiperidin-1-yl)-[1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinolin-4-yl]methanone
SMILESCOc1ccccc1N1CCN(c2ncc(C(=O)N3CC(C)CC(C)C3)c3ccccc23)CC1
InChIInChI=1S/C28H34N4O2/c1-20-16-21(2)19-32(18-20)28(33)24-17-29-27(23-9-5-4-8-22(23)24)31-14-12-30(13-15-31)25-10-6-7-11-26(25)34-3/h4-11,17,20-21H,12-16,18-19H2,1-3H3
InChIKeyZPRNXNQWUCJJMQ-UHFFFAOYSA-N
XLogP4.69
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3,5-dimethylpiperidin-1-yl)-[1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinolin-4-yl]methanone 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-(2-fluorophenyl)piperazin-1-yl]-[1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinolin-4-yl]methanone
CID 22330805
(3,5-dimethylpiperidin-1-yl)-[1-(2-methoxyanilino)isoquinolin-4-yl]methanone
CID 15994681
N-(4-fluorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylisoquinoline-4-carboxamide
CID 22334009
N-(2,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide
CID 15991885
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
N-(3-fluoro-4-methylphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide
CID 122174425
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone
CID 22334042
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 42843948
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone
CID 126476890
1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)isoquinoline-4-carboxamide
CID 126476783
(3S,5R)-1-(2-methoxyphenyl)-3,5-dimethylpiperidine
CID 159772789
[4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 42672046

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-[1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinolin-4-yl]methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-[1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinolin-4-yl]methanone (CID 122174431) is (3,5-dimethylpiperidin-1-yl)-[1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinolin-4-yl]methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-[1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinolin-4-yl]methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-[1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinolin-4-yl]methanone is COc1ccccc1N1CCN(c2ncc(C(=O)N3CC(C)CC(C)C3)c3ccccc23)CC1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-[1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinolin-4-yl]methanone?
The InChIKey is ZPRNXNQWUCJJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-20-16-21(2)19-32(18-20)28(33)24-17-29-27(23-9-5-4-8-22(23)24)31-14-12-30(13-15-31)25-10-6-7-11-26(25)34-3/h4-11,17,20-21H,12-16,18-19H2,1-3H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-[1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinolin-4-yl]methanone?
(3,5-dimethylpiperidin-1-yl)-[1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinolin-4-yl]methanone has a molecular weight of 458.61 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-[1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinolin-4-yl]methanone is sourced from PubChem (CID 122174431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).