[6-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-pyridinyl]-piperidin-1-ylmethanone

C20H23N3O2 — CID 96572522

IUPAC[6-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(N2Cc3ccccc3[C@@H](O)C2)nc1)N1CCCCC1
InChIInChI=1S/C20H23N3O2/c24-18-14-23(13-16-6-2-3-7-17(16)18)19-9-8-15(12-21-19)20(25)22-10-4-1-5-11-22/h2-3,6-9,12,18,24H,1,4-5,10-11,13-14H2/t18-/m0/s1
InChIKeyAGSSHMMXDOXPSE-SFHVURJKSA-N
MW337.42 g/mol
LogP2.76
Rot. Bonds2

About [6-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-pyridinyl]-piperidin-1-ylmethanone

[6-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 96572522) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is [6-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID96572522
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name[6-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(N2Cc3ccccc3[C@@H](O)C2)nc1)N1CCCCC1
InChIInChI=1S/C20H23N3O2/c24-18-14-23(13-16-6-2-3-7-17(16)18)19-9-8-15(12-21-19)20(25)22-10-4-1-5-11-22/h2-3,6-9,12,18,24H,1,4-5,10-11,13-14H2/t18-/m0/s1
InChIKeyAGSSHMMXDOXPSE-SFHVURJKSA-N
XLogP2.76
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-pyridinyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[5-chloro-6-[4-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 167831126
1-[6-(azepan-1-yl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 102554636
[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 95205942
(3-aminopiperidin-1-yl)-[6-(azepan-1-yl)-3-pyridinyl]methanone
CID 119378158
[6-(azepan-1-yl)-3-pyridinyl]-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 112818698
azepan-1-yl-[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methanone
CID 109160960
[6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 56720636
(2S)-4-[6-(azepan-1-yl)pyridine-3-carbonyl]morpholine-2-carboxylic acid
CID 125120657
piperidin-1-yl-[6-[2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]methanone
CID 70776837
(4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 109152306
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 84570648
[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109152150

Frequently Asked Questions

What is the IUPAC name of [6-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [6-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-pyridinyl]-piperidin-1-ylmethanone (CID 96572522) is [6-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-pyridinyl]-piperidin-1-ylmethanone is O=C(c1ccc(N2Cc3ccccc3[C@@H](O)C2)nc1)N1CCCCC1.
What is the InChIKey of [6-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is AGSSHMMXDOXPSE-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-18-14-23(13-16-6-2-3-7-17(16)18)19-9-8-15(12-21-19)20(25)22-10-4-1-5-11-22/h2-3,6-9,12,18,24H,1,4-5,10-11,13-14H2/t18-/m0/s1.
What are the key properties of [6-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-pyridinyl]-piperidin-1-ylmethanone?
[6-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 337.42 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 96572522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).