1-[2-(4-methylpiperazin-2-yl)ethyl]piperidin-2-one

C12H23N3O — CID 117029798

IUPAC1-[2-(4-methylpiperazin-2-yl)ethyl]piperidin-2-one
SMILESCN1CCNC(CCN2CCCCC2=O)C1
InChIInChI=1S/C12H23N3O/c1-14-9-6-13-11(10-14)5-8-15-7-3-2-4-12(15)16/h11,13H,2-10H2,1H3
InChIKeyUZHABXRWNUOLOR-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.29
Rot. Bonds3

About 1-[2-(4-methylpiperazin-2-yl)ethyl]piperidin-2-one

1-[2-(4-methylpiperazin-2-yl)ethyl]piperidin-2-one (PubChem CID 117029798) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-2-yl)ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-2-yl)ethyl]piperidin-2-one
PubChem CID117029798
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-[2-(4-methylpiperazin-2-yl)ethyl]piperidin-2-one
SMILESCN1CCNC(CCN2CCCCC2=O)C1
InChIInChI=1S/C12H23N3O/c1-14-9-6-13-11(10-14)5-8-15-7-3-2-4-12(15)16/h11,13H,2-10H2,1H3
InChIKeyUZHABXRWNUOLOR-UHFFFAOYSA-N
XLogP0.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methylpiperazin-2-yl)ethyl]piperidine-2,6-dione
CID 117029785
4-ethyl-1-[2-(4-methylpiperazin-2-yl)ethyl]imidazolidin-2-one
CID 116980731
1-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-ylimidazolidin-2-one
CID 116980735
2-[2-(4-methylpiperazin-2-yl)ethyl]-3H-isoindol-1-one
CID 117030142
1-[2-(oxiran-2-yl)ethyl]piperidin-2-one
CID 130575448
3-(4-methylpiperazin-2-yl)propanoic acid
CID 54495672
3-(3,3-dimethylbutyl)-1-methylpiperazine
CID 116928268
2-[2-(4-methylpiperazin-2-yl)ethyl]-1,3-dihydroisoindole
CID 117029756
2-methyl-4-(2-oxopiperidin-1-yl)butanoic acid
CID 12842030
(3R)-3-(fluoromethyl)-1-methylpiperazine
CID 67523011
N,N-diethyl-2-(4-methylpiperazin-2-yl)ethanamine
CID 83619171
1-methyl-3-(2-phenylethyl)piperazine
CID 82470032

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-2-yl)ethyl]piperidin-2-one?
The IUPAC name of 1-[2-(4-methylpiperazin-2-yl)ethyl]piperidin-2-one (CID 117029798) is 1-[2-(4-methylpiperazin-2-yl)ethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-(4-methylpiperazin-2-yl)ethyl]piperidin-2-one?
The canonical SMILES for 1-[2-(4-methylpiperazin-2-yl)ethyl]piperidin-2-one is CN1CCNC(CCN2CCCCC2=O)C1.
What is the InChIKey of 1-[2-(4-methylpiperazin-2-yl)ethyl]piperidin-2-one?
The InChIKey is UZHABXRWNUOLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-14-9-6-13-11(10-14)5-8-15-7-3-2-4-12(15)16/h11,13H,2-10H2,1H3.
What are the key properties of 1-[2-(4-methylpiperazin-2-yl)ethyl]piperidin-2-one?
1-[2-(4-methylpiperazin-2-yl)ethyl]piperidin-2-one has a molecular weight of 225.34 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-2-yl)ethyl]piperidin-2-one is sourced from PubChem (CID 117029798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).