[(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone

C15H16N2O2 — CID 107224794

IUPAC[(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone
SMILESO=C(c1nccc2ccccc12)N1CCC[C@H](O)C1
InChIInChI=1S/C15H16N2O2/c18-12-5-3-9-17(10-12)15(19)14-13-6-2-1-4-11(13)7-8-16-14/h1-2,4,6-8,12,18H,3,5,9-10H2/t12-/m0/s1
InChIKeyOZRSLUHDIDAIFG-LBPRGKRZSA-N
MW256.31 g/mol
LogP1.83
Rot. Bonds1

About [(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone

[(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone (PubChem CID 107224794) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is [(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone
PubChem CID107224794
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name[(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone
SMILESO=C(c1nccc2ccccc12)N1CCC[C@H](O)C1
InChIInChI=1S/C15H16N2O2/c18-12-5-3-9-17(10-12)15(19)14-13-6-2-1-4-11(13)7-8-16-14/h1-2,4,6-8,12,18H,3,5,9-10H2/t12-/m0/s1
InChIKeyOZRSLUHDIDAIFG-LBPRGKRZSA-N
XLogP1.83
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dihydroxypyrrolidin-1-yl)-isoquinolin-1-ylmethanone
CID 106671738
(3-hydroxypiperidin-1-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 60923940
isoquinolin-1-yl-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone
CID 75503683
(3-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107222837
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone
CID 70722462
isoquinolin-1-yl-[3-(methylamino)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119413779
[(3R)-3-(2,6-difluorophenyl)pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 164633243
isoquinolin-1-yl-[(3S)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
CID 25296938
(1-hydroxynaphthalen-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 43392987
(1-chloroisoquinolin-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300647
isoquinolin-1-yl-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124951974
isoquinolin-1-yl-[(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone
CID 42240610

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone?
The IUPAC name of [(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone (CID 107224794) is [(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone.
What is the SMILES notation for [(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone?
The canonical SMILES for [(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone is O=C(c1nccc2ccccc12)N1CCC[C@H](O)C1.
What is the InChIKey of [(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone?
The InChIKey is OZRSLUHDIDAIFG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-12-5-3-9-17(10-12)15(19)14-13-6-2-1-4-11(13)7-8-16-14/h1-2,4,6-8,12,18H,3,5,9-10H2/t12-/m0/s1.
What are the key properties of [(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone?
[(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone has a molecular weight of 256.31 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone is sourced from PubChem (CID 107224794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).