2-(oxolan-3-ylmethoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride

C16H24ClN3O3 — CID 120732408

IUPAC2-(oxolan-3-ylmethoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
SMILESCl.O=C(COCC1CCOC1)N1CCNCC1c1cccnc1
InChIInChI=1S/C16H23N3O3.ClH/c20-16(12-22-11-13-3-7-21-10-13)19-6-5-18-9-15(19)14-2-1-4-17-8-14;/h1-2,4,8,13,15,18H,3,5-7,9-12H2;1H
InChIKeyGCWIQWMPMWIJCV-UHFFFAOYSA-N
MW341.84 g/mol
LogP1.03
Rot. Bonds5

About 2-(oxolan-3-ylmethoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride

2-(oxolan-3-ylmethoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride (PubChem CID 120732408) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(oxolan-3-ylmethoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
PubChem CID120732408
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC Name2-(oxolan-3-ylmethoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
SMILESCl.O=C(COCC1CCOC1)N1CCNCC1c1cccnc1
InChIInChI=1S/C16H23N3O3.ClH/c20-16(12-22-11-13-3-7-21-10-13)19-6-5-18-9-15(19)14-2-1-4-17-8-14;/h1-2,4,8,13,15,18H,3,5-7,9-12H2;1H
InChIKeyGCWIQWMPMWIJCV-UHFFFAOYSA-N
XLogP1.03
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(oxan-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120729998
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-ylmethoxy)ethanone
CID 120739766
2-(4-ethoxyphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120732198
2-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120731259
3-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731237
4-cyclohexyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120729739
1-morpholin-4-yl-2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]sulfanylethanone
CID 120730674
2-(3,4-dichlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120732560
oxan-2-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729798
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-(oxolan-3-yl)propan-1-one;hydrochloride
CID 120736841
2,2-dimethyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]propanamide
CID 120731122

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-(oxolan-3-ylmethoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride (CID 120732408) is 2-(oxolan-3-ylmethoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(oxolan-3-ylmethoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(oxolan-3-ylmethoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride is Cl.O=C(COCC1CCOC1)N1CCNCC1c1cccnc1.
What is the InChIKey of 2-(oxolan-3-ylmethoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride?
The InChIKey is GCWIQWMPMWIJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c20-16(12-22-11-13-3-7-21-10-13)19-6-5-18-9-15(19)14-2-1-4-17-8-14;/h1-2,4,8,13,15,18H,3,5-7,9-12H2;1H.
What are the key properties of 2-(oxolan-3-ylmethoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride?
2-(oxolan-3-ylmethoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 120732408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).