[3-(isoquinolin-4-ylmethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone

C22H23N3O — CID 118740162

IUPAC[3-(isoquinolin-4-ylmethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CCCC(Cc3cncc4ccccc34)C2)n1
InChIInChI=1S/C22H23N3O/c1-16-6-4-10-21(24-16)22(26)25-11-5-7-17(15-25)12-19-14-23-13-18-8-2-3-9-20(18)19/h2-4,6,8-10,13-14,17H,5,7,11-12,15H2,1H3
InChIKeyJMABSGKEICUWFT-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.03
Rot. Bonds3

About [3-(isoquinolin-4-ylmethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone

[3-(isoquinolin-4-ylmethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone (PubChem CID 118740162) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is [3-(isoquinolin-4-ylmethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(isoquinolin-4-ylmethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
PubChem CID118740162
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name[3-(isoquinolin-4-ylmethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CCCC(Cc3cncc4ccccc34)C2)n1
InChIInChI=1S/C22H23N3O/c1-16-6-4-10-21(24-16)22(26)25-11-5-7-17(15-25)12-19-14-23-13-18-8-2-3-9-20(18)19/h2-4,6,8-10,13-14,17H,5,7,11-12,15H2,1H3
InChIKeyJMABSGKEICUWFT-UHFFFAOYSA-N
XLogP4.03
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 43422119
(6-methyl-2-pyridinyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 125006896
2-[(4S)-1-(6-methylpyridine-2-carbonyl)azepan-4-yl]acetic acid
CID 129488825
4-fluoro-N-[[(3R)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]methyl]benzamide
CID 25481314
[(6S)-6-(isoquinolin-4-ylmethyl)-4-methyl-1,4-diazepan-1-yl]-(1-methylimidazol-4-yl)methanone
CID 124974586
[3-(bromomethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 80666813
[(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride
CID 119411017
(2-methylpyrimidin-4-yl)-[(3R)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 124961035
(5-methylpyrazin-2-yl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 175652174
[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 124961132
ethyl 1-(6-methylpyridine-2-carbonyl)piperidine-3-carboxylate
CID 43423232
(3-aminoazetidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 63754551

Frequently Asked Questions

What is the IUPAC name of [3-(isoquinolin-4-ylmethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of [3-(isoquinolin-4-ylmethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone (CID 118740162) is [3-(isoquinolin-4-ylmethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [3-(isoquinolin-4-ylmethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for [3-(isoquinolin-4-ylmethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone is Cc1cccc(C(=O)N2CCCC(Cc3cncc4ccccc34)C2)n1.
What is the InChIKey of [3-(isoquinolin-4-ylmethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The InChIKey is JMABSGKEICUWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-16-6-4-10-21(24-16)22(26)25-11-5-7-17(15-25)12-19-14-23-13-18-8-2-3-9-20(18)19/h2-4,6,8-10,13-14,17H,5,7,11-12,15H2,1H3.
What are the key properties of [3-(isoquinolin-4-ylmethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
[3-(isoquinolin-4-ylmethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone has a molecular weight of 345.45 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(isoquinolin-4-ylmethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 118740162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).