(5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone

C11H15N3O2 — CID 63864754

IUPAC(5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cncc(O)c2)CC1
InChIInChI=1S/C11H15N3O2/c1-13-2-4-14(5-3-13)11(16)9-6-10(15)8-12-7-9/h6-8,15H,2-5H2,1H3
InChIKeyWJKURZDANAIWTG-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.17
Rot. Bonds1

About (5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone

(5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 63864754) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is (5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
PubChem CID63864754
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name(5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cncc(O)c2)CC1
InChIInChI=1S/C11H15N3O2/c1-13-2-4-14(5-3-13)11(16)9-6-10(15)8-12-7-9/h6-8,15H,2-5H2,1H3
InChIKeyWJKURZDANAIWTG-UHFFFAOYSA-N
XLogP0.17
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55257685
(4-methylpiperazin-1-yl)-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230061
(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103711801
(4-methylpiperazin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone
CID 109226454
1-(5-hydroxypyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 63850646
[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 63859263
(5-hydroxy-3-pyridinyl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 63860956
(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]methanone
CID 109104427
(5-hydroxy-3-pyridinyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 63860083
3,6-dihydro-2H-pyridin-1-yl-(5-hydroxy-3-pyridinyl)methanone
CID 115976365
(5-hydroxy-3-pyridinyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 63859905
(4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 112702155

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone (CID 63864754) is (5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cncc(O)c2)CC1.
What is the InChIKey of (5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is WJKURZDANAIWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-13-2-4-14(5-3-13)11(16)9-6-10(15)8-12-7-9/h6-8,15H,2-5H2,1H3.
What are the key properties of (5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone?
(5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 221.26 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 63864754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).