(1-hydrazinylisoquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone

C15H18N4O2 — CID 106773752

IUPAC(1-hydrazinylisoquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESNNc1ncc(C(=O)N2CCC(O)CC2)c2ccccc12
InChIInChI=1S/C15H18N4O2/c16-18-14-12-4-2-1-3-11(12)13(9-17-14)15(21)19-7-5-10(20)6-8-19/h1-4,9-10,20H,5-8,16H2,(H,17,18)
InChIKeyNDMVHNFODYFSBP-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.12
Rot. Bonds2

About (1-hydrazinylisoquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone

(1-hydrazinylisoquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 106773752) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is (1-hydrazinylisoquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-hydrazinylisoquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID106773752
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name(1-hydrazinylisoquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESNNc1ncc(C(=O)N2CCC(O)CC2)c2ccccc12
InChIInChI=1S/C15H18N4O2/c16-18-14-12-4-2-1-3-11(12)13(9-17-14)15(21)19-7-5-10(20)6-8-19/h1-4,9-10,20H,5-8,16H2,(H,17,18)
InChIKeyNDMVHNFODYFSBP-UHFFFAOYSA-N
XLogP1.12
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3,4-dihydroxypyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone
CID 106774564
(1-hydrazinylisoquinolin-4-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 106773701
2-azabicyclo[2.2.1]heptan-2-yl-(1-hydrazinylisoquinolin-4-yl)methanone
CID 106773654
(3-fluoro-2-hydrazinyl-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 105388111
(2,4-dimethylpyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone
CID 106774476
1-hydrazinylisoquinoline-4-carbohydrazide
CID 165346130
[1-(methylamino)isoquinolin-4-yl]-morpholin-4-ylmethanone
CID 106770053
N-(1-cyclopropylethyl)-1-hydrazinylisoquinoline-4-carboxamide
CID 106773929
1-hydrazinyl-N-(3-methylcyclobutyl)isoquinoline-4-carboxamide
CID 106774391
1-hydrazinyl-N-(2-methyltetrazol-5-yl)isoquinoline-4-carboxamide
CID 106774275
[1-(3,5-dichloroanilino)isoquinolin-4-yl]-morpholin-4-ylmethanone
CID 56960201
(4-benzylpiperidin-1-yl)-[1-(3-chloro-4-methylanilino)isoquinolin-4-yl]methanone
CID 22334347

Frequently Asked Questions

What is the IUPAC name of (1-hydrazinylisoquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (1-hydrazinylisoquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone (CID 106773752) is (1-hydrazinylisoquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (1-hydrazinylisoquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (1-hydrazinylisoquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone is NNc1ncc(C(=O)N2CCC(O)CC2)c2ccccc12.
What is the InChIKey of (1-hydrazinylisoquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is NDMVHNFODYFSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-18-14-12-4-2-1-3-11(12)13(9-17-14)15(21)19-7-5-10(20)6-8-19/h1-4,9-10,20H,5-8,16H2,(H,17,18).
What are the key properties of (1-hydrazinylisoquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone?
(1-hydrazinylisoquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 286.33 g/mol, XLogP of 1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydrazinylisoquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 106773752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).