[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride

C17H28ClN5O3 — CID 120957901

IUPAC[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
SMILESCN1CCNCC1c1noc(C2CCCCN2C(=O)C2CCCO2)n1.Cl
InChIInChI=1S/C17H27N5O3.ClH/c1-21-9-7-18-11-13(21)15-19-16(25-20-15)12-5-2-3-8-22(12)17(23)14-6-4-10-24-14;/h12-14,18H,2-11H2,1H3;1H
InChIKeyIBKXYRHQEUJJNU-UHFFFAOYSA-N
MW385.90 g/mol
LogP1.30
Rot. Bonds3

About [2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride

[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride (PubChem CID 120957901) has the molecular formula C17H28ClN5O3 and a molecular weight of 385.90 g/mol. Its IUPAC name is [2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
PubChem CID120957901
Molecular FormulaC17H28ClN5O3
Molecular Weight385.90 g/mol
Exact Mass385.19
IUPAC Name[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
SMILESCN1CCNCC1c1noc(C2CCCCN2C(=O)C2CCCO2)n1.Cl
InChIInChI=1S/C17H27N5O3.ClH/c1-21-9-7-18-11-13(21)15-19-16(25-20-15)12-5-2-3-8-22(12)17(23)14-6-4-10-24-14;/h12-14,18H,2-11H2,1H3;1H
InChIKeyIBKXYRHQEUJJNU-UHFFFAOYSA-N
XLogP1.30
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 120960373
cyclobutyl-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]methanone
CID 120959261
[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(5-nitrothiophen-2-yl)methanone;hydrochloride
CID 120956263
3-(1-methylpiperazin-2-yl)-5-(2-phenyloxan-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958632
3-(1-methylpiperazin-2-yl)-5-(thiolan-2-yl)-1,2,4-oxadiazole
CID 120958493
[(2S)-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 97212309
4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide
CID 120957246
oxan-2-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729798
4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 120958246
(4-fluorophenyl)-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 120960207
5-(1-methylpyrrolidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115077864
2-[3-(azetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylic acid
CID 69492114

Frequently Asked Questions

What is the IUPAC name of [2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride?
The IUPAC name of [2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride (CID 120957901) is [2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride.
What is the SMILES notation for [2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride?
The canonical SMILES for [2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride is CN1CCNCC1c1noc(C2CCCCN2C(=O)C2CCCO2)n1.Cl.
What is the InChIKey of [2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride?
The InChIKey is IBKXYRHQEUJJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3.ClH/c1-21-9-7-18-11-13(21)15-19-16(25-20-15)12-5-2-3-8-22(12)17(23)14-6-4-10-24-14;/h12-14,18H,2-11H2,1H3;1H.
What are the key properties of [2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride?
[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride has a molecular weight of 385.90 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride is sourced from PubChem (CID 120957901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).