[6-(oxolan-3-yloxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride

C17H26ClN3O3 — CID 68927330

IUPAC[6-(oxolan-3-yloxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride
SMILESCC(C)N1CCN(C(=O)c2ccc(OC3CCOC3)nc2)CC1.Cl
InChIInChI=1S/C17H25N3O3.ClH/c1-13(2)19-6-8-20(9-7-19)17(21)14-3-4-16(18-11-14)23-15-5-10-22-12-15;/h3-4,11,13,15H,5-10,12H2,1-2H3;1H
InChIKeyIDTPRHUDOBMBIK-UHFFFAOYSA-N
MW355.87 g/mol
LogP1.84
Rot. Bonds4

About [6-(oxolan-3-yloxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride

[6-(oxolan-3-yloxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 68927330) has the molecular formula C17H26ClN3O3 and a molecular weight of 355.87 g/mol. Its IUPAC name is [6-(oxolan-3-yloxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[6-(oxolan-3-yloxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride
PubChem CID68927330
Molecular FormulaC17H26ClN3O3
Molecular Weight355.87 g/mol
Exact Mass355.17
IUPAC Name[6-(oxolan-3-yloxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride
SMILESCC(C)N1CCN(C(=O)c2ccc(OC3CCOC3)nc2)CC1.Cl
InChIInChI=1S/C17H25N3O3.ClH/c1-13(2)19-6-8-20(9-7-19)17(21)14-3-4-16(18-11-14)23-15-5-10-22-12-15;/h3-4,11,13,15H,5-10,12H2,1-2H3;1H
InChIKeyIDTPRHUDOBMBIK-UHFFFAOYSA-N
XLogP1.84
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-(oxolan-3-yloxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride with MolForge

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Related Compounds

ethyl 4-[6-[(3R)-oxolan-3-yl]oxypyridine-3-carbonyl]piperazine-1-carboxylate
CID 124892311
[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 100730810
[6-(oxolan-3-yloxy)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 91815187
[4-(2-fluorophenyl)piperazin-1-yl]-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]methanone
CID 100729895
6-(oxolan-3-yloxy)-N-phenylpyridine-3-carboxamide
CID 91815160
1-[6-(oxetan-3-yloxy)-3-pyridinyl]ethanone
CID 102604862
N-(4-chlorophenyl)-6-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 100730314
N-cyclopropyl-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]propanamide
CID 51329173
[6-(4-chloro-3-methylphenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 24771303
methyl 1-[6-(oxan-4-yloxy)pyridine-3-carbonyl]piperidine-2-carboxylate
CID 91815364
(4-hydroxypiperidin-1-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 110890106
pyrrolidin-1-yl-[6-(thiolan-3-yloxy)-3-pyridinyl]methanone
CID 91625365

Frequently Asked Questions

What is the IUPAC name of [6-(oxolan-3-yloxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of [6-(oxolan-3-yloxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride (CID 68927330) is [6-(oxolan-3-yloxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [6-(oxolan-3-yloxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for [6-(oxolan-3-yloxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride is CC(C)N1CCN(C(=O)c2ccc(OC3CCOC3)nc2)CC1.Cl.
What is the InChIKey of [6-(oxolan-3-yloxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is IDTPRHUDOBMBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3.ClH/c1-13(2)19-6-8-20(9-7-19)17(21)14-3-4-16(18-11-14)23-15-5-10-22-12-15;/h3-4,11,13,15H,5-10,12H2,1-2H3;1H.
What are the key properties of [6-(oxolan-3-yloxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride?
[6-(oxolan-3-yloxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 355.87 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(oxolan-3-yloxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 68927330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).