1-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one;hydrochloride

C15H26ClN5O2 — CID 120961598

IUPAC1-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one;hydrochloride
SMILESCC(C)C(c1nc(C2CNCCN2C)no1)N1CCCC1=O.Cl
InChIInChI=1S/C15H25N5O2.ClH/c1-10(2)13(20-7-4-5-12(20)21)15-17-14(18-22-15)11-9-16-6-8-19(11)3;/h10-11,13,16H,4-9H2,1-3H3;1H
InChIKeyQNSWFPDUYNVOLJ-UHFFFAOYSA-N
MW343.86 g/mol
LogP1.39
Rot. Bonds4

About 1-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one;hydrochloride

1-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one;hydrochloride (PubChem CID 120961598) has the molecular formula C15H26ClN5O2 and a molecular weight of 343.86 g/mol. Its IUPAC name is 1-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one;hydrochloride
PubChem CID120961598
Molecular FormulaC15H26ClN5O2
Molecular Weight343.86 g/mol
Exact Mass343.18
IUPAC Name1-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one;hydrochloride
SMILESCC(C)C(c1nc(C2CNCCN2C)no1)N1CCCC1=O.Cl
InChIInChI=1S/C15H25N5O2.ClH/c1-10(2)13(20-7-4-5-12(20)21)15-17-14(18-22-15)11-9-16-6-8-19(11)3;/h10-11,13,16H,4-9H2,1-3H3;1H
InChIKeyQNSWFPDUYNVOLJ-UHFFFAOYSA-N
XLogP1.39
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-methylpiperazin-2-yl)-5-(1-methylsulfanylethyl)-1,2,4-oxadiazole
CID 120957974
5-(1-but-3-enoxyethyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956363
5-[2-methyl-1-(5-phenyltetrazol-2-yl)propyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956344
3-(1-methylpiperazin-2-yl)-5-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole
CID 120958589
3-(1-methylpiperazin-2-yl)-5-(1-pyridin-3-ylethyl)-1,2,4-oxadiazole;hydrochloride
CID 120957055
1-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride
CID 120960456
5-[1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956253
N-[cyclopentyl-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 120956540
3-(1-methylpiperazin-2-yl)-5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazole
CID 120956490
N-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyridine-2-carboxamide;hydrochloride
CID 120956291
5-[1-(3-methylphenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958508
5-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958667

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one;hydrochloride (CID 120961598) is 1-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one;hydrochloride is CC(C)C(c1nc(C2CNCCN2C)no1)N1CCCC1=O.Cl.
What is the InChIKey of 1-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one;hydrochloride?
The InChIKey is QNSWFPDUYNVOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2.ClH/c1-10(2)13(20-7-4-5-12(20)21)15-17-14(18-22-15)11-9-16-6-8-19(11)3;/h10-11,13,16H,4-9H2,1-3H3;1H.
What are the key properties of 1-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one;hydrochloride?
1-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one;hydrochloride has a molecular weight of 343.86 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 120961598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).