(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone

C13H19N3O2 — CID 55257685

IUPAC(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cncc(O)c2)CC1
InChIInChI=1S/C13H19N3O2/c1-10(2)15-3-5-16(6-4-15)13(18)11-7-12(17)9-14-8-11/h7-10,17H,3-6H2,1-2H3
InChIKeyWINGJDWZVAYWKS-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.95
Rot. Bonds2

About (5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone

(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 55257685) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID55257685
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cncc(O)c2)CC1
InChIInChI=1S/C13H19N3O2/c1-10(2)15-3-5-16(6-4-15)13(18)11-7-12(17)9-14-8-11/h7-10,17H,3-6H2,1-2H3
InChIKeyWINGJDWZVAYWKS-UHFFFAOYSA-N
XLogP0.95
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 63864754
(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103711801
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 112625849
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
(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-2-ylmethyl)piperazin-1-yl]methanone
CID 63859389
(5-hydroxy-3-pyridinyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 110854337
[4-(3-chlorophenyl)piperazin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 110854505
N-cyclohexyl-4-(5-hydroxypyridine-3-carbonyl)piperazine-1-carboxamide
CID 138994284

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 55257685) is (5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2cncc(O)c2)CC1.
What is the InChIKey of (5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is WINGJDWZVAYWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10(2)15-3-5-16(6-4-15)13(18)11-7-12(17)9-14-8-11/h7-10,17H,3-6H2,1-2H3.
What are the key properties of (5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 249.31 g/mol, XLogP of 0.95, 2 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-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 55257685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).