1-(2-methylpiperazin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;dihydrochloride

C15H21Cl2N5O2 — CID 119472580

IUPAC1-(2-methylpiperazin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;dihydrochloride
SMILESCC1CNCCN1C(=O)CCc1nc(-c2ccccn2)no1.Cl.Cl
InChIInChI=1S/C15H19N5O2.2ClH/c1-11-10-16-8-9-20(11)14(21)6-5-13-18-15(19-22-13)12-4-2-3-7-17-12;;/h2-4,7,11,16H,5-6,8-10H2,1H3;2*1H
InChIKeyZMGXBAOTCXRJNJ-UHFFFAOYSA-N
MW374.27 g/mol
LogP1.73
Rot. Bonds4

About 1-(2-methylpiperazin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;dihydrochloride

1-(2-methylpiperazin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;dihydrochloride (PubChem CID 119472580) has the molecular formula C15H21Cl2N5O2 and a molecular weight of 374.27 g/mol. Its IUPAC name is 1-(2-methylpiperazin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;dihydrochloride.

Molecular Properties

Compound Name1-(2-methylpiperazin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;dihydrochloride
PubChem CID119472580
Molecular FormulaC15H21Cl2N5O2
Molecular Weight374.27 g/mol
Exact Mass373.11
IUPAC Name1-(2-methylpiperazin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;dihydrochloride
SMILESCC1CNCCN1C(=O)CCc1nc(-c2ccccn2)no1.Cl.Cl
InChIInChI=1S/C15H19N5O2.2ClH/c1-11-10-16-8-9-20(11)14(21)6-5-13-18-15(19-22-13)12-4-2-3-7-17-12;;/h2-4,7,11,16H,5-6,8-10H2,1H3;2*1H
InChIKeyZMGXBAOTCXRJNJ-UHFFFAOYSA-N
XLogP1.73
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 120740170
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119471174
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119470613
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 82713825
1-(4-methylpiperazin-4-ium-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 6931138
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 119436794
1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 120740014
1-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 95590074
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;dihydrochloride
CID 120746666
1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 87018941
3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propan-1-one
CID 51949209
3-(2-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 82297474

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperazin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;dihydrochloride?
The IUPAC name of 1-(2-methylpiperazin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;dihydrochloride (CID 119472580) is 1-(2-methylpiperazin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;dihydrochloride.
What is the SMILES notation for 1-(2-methylpiperazin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;dihydrochloride?
The canonical SMILES for 1-(2-methylpiperazin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;dihydrochloride is CC1CNCCN1C(=O)CCc1nc(-c2ccccn2)no1.Cl.Cl.
What is the InChIKey of 1-(2-methylpiperazin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;dihydrochloride?
The InChIKey is ZMGXBAOTCXRJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2.2ClH/c1-11-10-16-8-9-20(11)14(21)6-5-13-18-15(19-22-13)12-4-2-3-7-17-12;;/h2-4,7,11,16H,5-6,8-10H2,1H3;2*1H.
What are the key properties of 1-(2-methylpiperazin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;dihydrochloride?
1-(2-methylpiperazin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;dihydrochloride has a molecular weight of 374.27 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperazin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;dihydrochloride is sourced from PubChem (CID 119472580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).