1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one;hydrochloride

C12H22ClN3O2 — CID 110282452

IUPAC1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one;hydrochloride
SMILESCN1CCNC(CC(=O)N2CCCCC2)C1=O.Cl
InChIInChI=1S/C12H21N3O2.ClH/c1-14-8-5-13-10(12(14)17)9-11(16)15-6-3-2-4-7-15;/h10,13H,2-9H2,1H3;1H
InChIKeyRPUSMZYBCAZLNY-UHFFFAOYSA-N
MW275.78 g/mol
LogP0.24
Rot. Bonds2

About 1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one;hydrochloride

1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one;hydrochloride (PubChem CID 110282452) has the molecular formula C12H22ClN3O2 and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one;hydrochloride
PubChem CID110282452
Molecular FormulaC12H22ClN3O2
Molecular Weight275.78 g/mol
Exact Mass275.14
IUPAC Name1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one;hydrochloride
SMILESCN1CCNC(CC(=O)N2CCCCC2)C1=O.Cl
InChIInChI=1S/C12H21N3O2.ClH/c1-14-8-5-13-10(12(14)17)9-11(16)15-6-3-2-4-7-15;/h10,13H,2-9H2,1H3;1H
InChIKeyRPUSMZYBCAZLNY-UHFFFAOYSA-N
XLogP0.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-propylpiperazin-2-one
CID 110282733
1-(cyclopropylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride
CID 110282635
3-[2-(azepan-1-yl)-2-oxoethyl]-1-(cyclobutylmethyl)piperazin-2-one
CID 110283438
N,N-diethyl-2-(4-methyl-3-oxopiperazin-2-yl)acetamide;hydrochloride
CID 110282446
3-[2-(azepan-1-yl)-2-oxoethyl]-1-benzylpiperazin-2-one
CID 110283147
3-(2-hydroxyethyl)-1-methylpiperazin-2-one;dihydrochloride
CID 154852977
1-[(3,5-difluorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one
CID 110283912
1-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride
CID 110282942
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-methylpiperazin-2-one;hydrochloride
CID 110282474
1-(cyclopropylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride
CID 110282647
3-[2-(azepan-1-yl)-2-oxoethyl]-1-[(3-bromophenyl)methyl]piperazin-2-one;hydrochloride
CID 110283633
1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one
CID 110283814

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one;hydrochloride?
The IUPAC name of 1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one;hydrochloride (CID 110282452) is 1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one;hydrochloride.
What is the SMILES notation for 1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one;hydrochloride?
The canonical SMILES for 1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one;hydrochloride is CN1CCNC(CC(=O)N2CCCCC2)C1=O.Cl.
What is the InChIKey of 1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one;hydrochloride?
The InChIKey is RPUSMZYBCAZLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2.ClH/c1-14-8-5-13-10(12(14)17)9-11(16)15-6-3-2-4-7-15;/h10,13H,2-9H2,1H3;1H.
What are the key properties of 1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one;hydrochloride?
1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one;hydrochloride has a molecular weight of 275.78 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one;hydrochloride is sourced from PubChem (CID 110282452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).