(1-chloroisoquinolin-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone

C15H15ClN2O2 — CID 107300647

IUPAC(1-chloroisoquinolin-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2c(Cl)n1)N1CCC[C@H](O)C1
InChIInChI=1S/C15H15ClN2O2/c16-14-12-6-2-1-4-10(12)8-13(17-14)15(20)18-7-3-5-11(19)9-18/h1-2,4,6,8,11,19H,3,5,7,9H2/t11-/m0/s1
InChIKeyZUKQVKDUNRMEJQ-NSHDSACASA-N
MW290.75 g/mol
LogP2.49
Rot. Bonds1

About (1-chloroisoquinolin-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone

(1-chloroisoquinolin-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone (PubChem CID 107300647) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is (1-chloroisoquinolin-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-chloroisoquinolin-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
PubChem CID107300647
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name(1-chloroisoquinolin-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2c(Cl)n1)N1CCC[C@H](O)C1
InChIInChI=1S/C15H15ClN2O2/c16-14-12-6-2-1-4-10(12)8-13(17-14)15(20)18-7-3-5-11(19)9-18/h1-2,4,6,8,11,19H,3,5,7,9H2/t11-/m0/s1
InChIKeyZUKQVKDUNRMEJQ-NSHDSACASA-N
XLogP2.49
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(1-chloroisoquinolin-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62974868
[(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone
CID 107224794
4-(1-chloroisoquinoline-3-carbonyl)-1,4-diazepan-2-one
CID 65366073
1-(1-chloroisoquinoline-3-carbonyl)pyrrolidin-2-one
CID 61215483
(1-hydroxynaphthalen-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 43392987
[2-[(3R)-3-hydroxypiperidine-1-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-naphthalen-1-ylmethanone
CID 171675011
(1-methoxyisoquinolin-3-yl)-(3-methoxypiperidin-1-yl)methanone
CID 75419494
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830
(3-hydroxypiperidin-1-yl)-(2-phenylpyrimidin-4-yl)methanone
CID 170207899
(4-chloroquinolin-2-yl)-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 99036740
(1-chloroisoquinolin-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43430222
(2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032488

Frequently Asked Questions

What is the IUPAC name of (1-chloroisoquinolin-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of (1-chloroisoquinolin-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone (CID 107300647) is (1-chloroisoquinolin-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for (1-chloroisoquinolin-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for (1-chloroisoquinolin-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone is O=C(c1cc2ccccc2c(Cl)n1)N1CCC[C@H](O)C1.
What is the InChIKey of (1-chloroisoquinolin-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is ZUKQVKDUNRMEJQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-14-12-6-2-1-4-10(12)8-13(17-14)15(20)18-7-3-5-11(19)9-18/h1-2,4,6,8,11,19H,3,5,7,9H2/t11-/m0/s1.
What are the key properties of (1-chloroisoquinolin-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
(1-chloroisoquinolin-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone has a molecular weight of 290.75 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloroisoquinolin-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 107300647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).