4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-1-methylpiperazin-2-one

C14H23N3O2 — CID 79614970

IUPAC4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)CC2CC3CCC(C2)N3)CC1=O
InChIInChI=1S/C14H23N3O2/c1-16-4-5-17(9-14(16)19)13(18)8-10-6-11-2-3-12(7-10)15-11/h10-12,15H,2-9H2,1H3
InChIKeyQSWKWAVNJBWRFG-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.21
Rot. Bonds2

About 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-1-methylpiperazin-2-one

4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-1-methylpiperazin-2-one (PubChem CID 79614970) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-1-methylpiperazin-2-one
PubChem CID79614970
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)CC2CC3CCC(C2)N3)CC1=O
InChIInChI=1S/C14H23N3O2/c1-16-4-5-17(9-14(16)19)13(18)8-10-6-11-2-3-12(7-10)15-11/h10-12,15H,2-9H2,1H3
InChIKeyQSWKWAVNJBWRFG-UHFFFAOYSA-N
XLogP0.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-aminocyclohexyl)acetyl]-1-methylpiperazin-2-one
CID 64692911
1-methyl-4-(2-piperidin-3-ylacetyl)piperazin-2-one
CID 64682024
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 79607332
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 79607933
1-(4-acetyl-1,4-diazepan-1-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 79610796
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,4-dimethylpiperazin-1-yl)ethanone
CID 79614821
1-methyl-4-propanoylpiperazin-2-one
CID 64693548
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119838552
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 79607325
4-[2-[4-(aminomethyl)cyclohexyl]acetyl]-1-methyl-1,4-diazepan-2-one
CID 102892849
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone;hydrochloride
CID 119669639
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 119827979

Frequently Asked Questions

What is the IUPAC name of 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-1-methylpiperazin-2-one (CID 79614970) is 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-1-methylpiperazin-2-one is CN1CCN(C(=O)CC2CC3CCC(C2)N3)CC1=O.
What is the InChIKey of 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-1-methylpiperazin-2-one?
The InChIKey is QSWKWAVNJBWRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-16-4-5-17(9-14(16)19)13(18)8-10-6-11-2-3-12(7-10)15-11/h10-12,15H,2-9H2,1H3.
What are the key properties of 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-1-methylpiperazin-2-one?
4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-1-methylpiperazin-2-one has a molecular weight of 265.36 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 79614970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).