[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone

C17H19N3O3 — CID 56740554

IUPAC[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3ncccc3O)CC2)nc1
InChIInChI=1S/C17H19N3O3/c1-12-4-5-14(19-11-12)17(23)6-9-20(10-7-17)16(22)15-13(21)3-2-8-18-15/h2-5,8,11,21,23H,6-7,9-10H2,1H3
InChIKeyRWSYNQVGRDFJRF-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.61
Rot. Bonds2

About [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone

[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone (PubChem CID 56740554) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
PubChem CID56740554
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3ncccc3O)CC2)nc1
InChIInChI=1S/C17H19N3O3/c1-12-4-5-14(19-11-12)17(23)6-9-20(10-7-17)16(22)15-13(21)3-2-8-18-15/h2-5,8,11,21,23H,6-7,9-10H2,1H3
InChIKeyRWSYNQVGRDFJRF-UHFFFAOYSA-N
XLogP1.61
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1H-imidazol-2-yl)methanone
CID 56747203
(4-amino-2-pyridinyl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 56752037
2-amino-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanone
CID 56747551
(4-ethyl-4-methylpiperidin-1-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 55139224
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
CID 56742882
(3-amino-1H-pyrazol-5-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 56741023
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3,7-trimethylindol-2-yl)methanone
CID 56758093
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone
CID 121498872
(7,7-dimethyl-1,4-thiazepan-4-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 107300789
azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone
CID 54861395
1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 56748421
(3,5-dimethyl-4H-1,2-oxazol-5-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 56747628

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
The IUPAC name of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone (CID 56740554) is [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone.
What is the SMILES notation for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
The canonical SMILES for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone is Cc1ccc(C2(O)CCN(C(=O)c3ncccc3O)CC2)nc1.
What is the InChIKey of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
The InChIKey is RWSYNQVGRDFJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-4-5-14(19-11-12)17(23)6-9-20(10-7-17)16(22)15-13(21)3-2-8-18-15/h2-5,8,11,21,23H,6-7,9-10H2,1H3.
What are the key properties of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone has a molecular weight of 313.36 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone is sourced from PubChem (CID 56740554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).