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

C22H23N3O — CID 110103462

IUPACisoquinolin-1-yl-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone
SMILESCc1ccc(CC2CCCN(C(=O)c3nccc4ccccc34)C2)cn1
InChIInChI=1S/C22H23N3O/c1-16-8-9-17(14-24-16)13-18-5-4-12-25(15-18)22(26)21-20-7-3-2-6-19(20)10-11-23-21/h2-3,6-11,14,18H,4-5,12-13,15H2,1H3
InChIKeyCFUYBXGWKNPWOO-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.03
Rot. Bonds3

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

isoquinolin-1-yl-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone (PubChem CID 110103462) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is isoquinolin-1-yl-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Nameisoquinolin-1-yl-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone
PubChem CID110103462
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Nameisoquinolin-1-yl-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone
SMILESCc1ccc(CC2CCCN(C(=O)c3nccc4ccccc34)C2)cn1
InChIInChI=1S/C22H23N3O/c1-16-8-9-17(14-24-16)13-18-5-4-12-25(15-18)22(26)21-20-7-3-2-6-19(20)10-11-23-21/h2-3,6-11,14,18H,4-5,12-13,15H2,1H3
InChIKeyCFUYBXGWKNPWOO-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

isoquinolin-1-yl-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 110106635
[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 97205943
(2-methylpyrazol-3-yl)-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone
CID 124987374
(1-methylpyrazol-3-yl)-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone
CID 124943393
[(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone
CID 107224794
[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 125024367
1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124990141
2-(2-ethylimidazol-1-yl)-1-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 124988678
isoquinolin-1-yl-[(3S)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
CID 25296938
3-(2-methylpyrazol-3-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]propan-1-one
CID 124979678
2-(2-methylimidazol-1-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 125010475
1-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110103422

Frequently Asked Questions

What is the IUPAC name of isoquinolin-1-yl-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone?
The IUPAC name of isoquinolin-1-yl-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone (CID 110103462) is isoquinolin-1-yl-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for isoquinolin-1-yl-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for isoquinolin-1-yl-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone is Cc1ccc(CC2CCCN(C(=O)c3nccc4ccccc34)C2)cn1.
What is the InChIKey of isoquinolin-1-yl-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone?
The InChIKey is CFUYBXGWKNPWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-16-8-9-17(14-24-16)13-18-5-4-12-25(15-18)22(26)21-20-7-3-2-6-19(20)10-11-23-21/h2-3,6-11,14,18H,4-5,12-13,15H2,1H3.
What are the key properties of isoquinolin-1-yl-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone?
isoquinolin-1-yl-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]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 isoquinolin-1-yl-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110103462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).