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

C24H27N3O2 — CID 15994681

IUPAC(3,5-dimethylpiperidin-1-yl)-[1-(2-methoxyanilino)isoquinolin-4-yl]methanone
SMILESCOc1ccccc1Nc1ncc(C(=O)N2CC(C)CC(C)C2)c2ccccc12
InChIInChI=1S/C24H27N3O2/c1-16-12-17(2)15-27(14-16)24(28)20-13-25-23(19-9-5-4-8-18(19)20)26-21-10-6-7-11-22(21)29-3/h4-11,13,16-17H,12,14-15H2,1-3H3,(H,25,26)
InChIKeyXSGCFKHSCVBMKN-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.11
Rot. Bonds4

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

(3,5-dimethylpiperidin-1-yl)-[1-(2-methoxyanilino)isoquinolin-4-yl]methanone (PubChem CID 15994681) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-[1-(2-methoxyanilino)isoquinolin-4-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-[1-(2-methoxyanilino)isoquinolin-4-yl]methanone
PubChem CID15994681
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name(3,5-dimethylpiperidin-1-yl)-[1-(2-methoxyanilino)isoquinolin-4-yl]methanone
SMILESCOc1ccccc1Nc1ncc(C(=O)N2CC(C)CC(C)C2)c2ccccc12
InChIInChI=1S/C24H27N3O2/c1-16-12-17(2)15-27(14-16)24(28)20-13-25-23(19-9-5-4-8-18(19)20)26-21-10-6-7-11-22(21)29-3/h4-11,13,16-17H,12,14-15H2,1-3H3,(H,25,26)
InChIKeyXSGCFKHSCVBMKN-UHFFFAOYSA-N
XLogP5.11
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3,5-dimethylpiperidin-1-yl)-[1-(2-methoxyanilino)isoquinolin-4-yl]methanone with MolForge

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Related Compounds

4-iodo-N-(2-(4-(methoxyphenyl)-1-piperazinyl)ethyl)-N-2-pyridinylbenzamide
CID 4658
Mppf F-18
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4-Fluoro-N-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-N-2-pyridinylbenzamide
CID 6603915
Vuf8504
CID 10247610
4-Anilino-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide
CID 155883039
N-(4-phenoxyphenyl)-2-((pyridin-4-ylmethyl)amino)nicotinamide
CID 16040289
2-fluoro-N-{2-[5-methoxy-6-(morpholin-4-yl)pyridin-3-yl]propan-2-yl}-9-oxo-9,10-dihydroacridine-3-carboxamide
CID 16748274
2-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propylamino)-N,N-dimethylnicotinamide
CID 9865577
2-[[3-(Trifluoromethyl)phenyl]amino]-N-[3-[4-(2-isopropoxyphenyl)piperazine-1-yl]-2-hydroxypropyl]-3-pyridinecarboxamide
CID 9915752
2-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10499343
1-[2-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]-2,2-dimethylpropan-1-one
CID 10525639
2-[3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10526964

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-[1-(2-methoxyanilino)isoquinolin-4-yl]methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-[1-(2-methoxyanilino)isoquinolin-4-yl]methanone (CID 15994681) is (3,5-dimethylpiperidin-1-yl)-[1-(2-methoxyanilino)isoquinolin-4-yl]methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-[1-(2-methoxyanilino)isoquinolin-4-yl]methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-[1-(2-methoxyanilino)isoquinolin-4-yl]methanone is COc1ccccc1Nc1ncc(C(=O)N2CC(C)CC(C)C2)c2ccccc12.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-[1-(2-methoxyanilino)isoquinolin-4-yl]methanone?
The InChIKey is XSGCFKHSCVBMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-16-12-17(2)15-27(14-16)24(28)20-13-25-23(19-9-5-4-8-18(19)20)26-21-10-6-7-11-22(21)29-3/h4-11,13,16-17H,12,14-15H2,1-3H3,(H,25,26).
What are the key properties of (3,5-dimethylpiperidin-1-yl)-[1-(2-methoxyanilino)isoquinolin-4-yl]methanone?
(3,5-dimethylpiperidin-1-yl)-[1-(2-methoxyanilino)isoquinolin-4-yl]methanone has a molecular weight of 389.50 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-[1-(2-methoxyanilino)isoquinolin-4-yl]methanone is sourced from PubChem (CID 15994681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).