(5-hydroxy-3-pyridinyl)-(4-prop-2-ynylpiperazin-1-yl)methanone

C13H15N3O2 — CID 63860956

IUPAC(5-hydroxy-3-pyridinyl)-(4-prop-2-ynylpiperazin-1-yl)methanone
SMILESC#CCN1CCN(C(=O)c2cncc(O)c2)CC1
InChIInChI=1S/C13H15N3O2/c1-2-3-15-4-6-16(7-5-15)13(18)11-8-12(17)10-14-9-11/h1,8-10,17H,3-7H2
InChIKeyLSWBGABQGBEIDC-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.18
Rot. Bonds2

About (5-hydroxy-3-pyridinyl)-(4-prop-2-ynylpiperazin-1-yl)methanone

(5-hydroxy-3-pyridinyl)-(4-prop-2-ynylpiperazin-1-yl)methanone (PubChem CID 63860956) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (5-hydroxy-3-pyridinyl)-(4-prop-2-ynylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-hydroxy-3-pyridinyl)-(4-prop-2-ynylpiperazin-1-yl)methanone
PubChem CID63860956
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(5-hydroxy-3-pyridinyl)-(4-prop-2-ynylpiperazin-1-yl)methanone
SMILESC#CCN1CCN(C(=O)c2cncc(O)c2)CC1
InChIInChI=1S/C13H15N3O2/c1-2-3-15-4-6-16(7-5-15)13(18)11-8-12(17)10-14-9-11/h1,8-10,17H,3-7H2
InChIKeyLSWBGABQGBEIDC-UHFFFAOYSA-N
XLogP0.18
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 63864754
(5-hydroxy-3-pyridinyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 63859905
(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55257685
1-(5-hydroxypyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 63850646
(6-chloropyrazin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 106551233
(5-hydroxy-3-pyridinyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 63858865
(5-hydroxy-3-pyridinyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 63859389
(4-aminophenyl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 54905926
[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 63859263
(5-hydroxy-3-pyridinyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 63860083
(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103711801
3,6-dihydro-2H-pyridin-1-yl-(5-hydroxy-3-pyridinyl)methanone
CID 115976365

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-3-pyridinyl)-(4-prop-2-ynylpiperazin-1-yl)methanone?
The IUPAC name of (5-hydroxy-3-pyridinyl)-(4-prop-2-ynylpiperazin-1-yl)methanone (CID 63860956) is (5-hydroxy-3-pyridinyl)-(4-prop-2-ynylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-hydroxy-3-pyridinyl)-(4-prop-2-ynylpiperazin-1-yl)methanone?
The canonical SMILES for (5-hydroxy-3-pyridinyl)-(4-prop-2-ynylpiperazin-1-yl)methanone is C#CCN1CCN(C(=O)c2cncc(O)c2)CC1.
What is the InChIKey of (5-hydroxy-3-pyridinyl)-(4-prop-2-ynylpiperazin-1-yl)methanone?
The InChIKey is LSWBGABQGBEIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-3-15-4-6-16(7-5-15)13(18)11-8-12(17)10-14-9-11/h1,8-10,17H,3-7H2.
What are the key properties of (5-hydroxy-3-pyridinyl)-(4-prop-2-ynylpiperazin-1-yl)methanone?
(5-hydroxy-3-pyridinyl)-(4-prop-2-ynylpiperazin-1-yl)methanone has a molecular weight of 245.28 g/mol, XLogP of 0.18, 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-prop-2-ynylpiperazin-1-yl)methanone is sourced from PubChem (CID 63860956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).