4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-methylpiperazine-2,6-dione

C14H21N3O3 — CID 79615830

IUPAC4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C14H21N3O3/c1-8-14(20)16-12(18)7-17(8)13(19)6-9-4-10-2-3-11(5-9)15-10/h8-11,15H,2-7H2,1H3,(H,16,18,20)
InChIKeyVZPWGWOWEFUSNI-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.22
Rot. Bonds2

About 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-methylpiperazine-2,6-dione

4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-methylpiperazine-2,6-dione (PubChem CID 79615830) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-methylpiperazine-2,6-dione
PubChem CID79615830
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C14H21N3O3/c1-8-14(20)16-12(18)7-17(8)13(19)6-9-4-10-2-3-11(5-9)15-10/h8-11,15H,2-7H2,1H3,(H,16,18,20)
InChIKeyVZPWGWOWEFUSNI-UHFFFAOYSA-N
XLogP-0.22
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-methylpiperazine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-4-propanoylpiperazine-2,6-dione
CID 66061335
3-methyl-4-(2-methylsulfanylacetyl)piperazine-2,6-dione
CID 66063866
4-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66074655
4-(2-tert-butylsulfanylacetyl)-3-methylpiperazine-2,6-dione
CID 66063693
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2,4-dimethylpiperazin-1-yl)ethanone
CID 103814616
4-[2-(1-methoxycyclobutyl)acetyl]-3-methylpiperazine-2,6-dione
CID 103557215
4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-ethylpiperazin-2-one;hydrochloride
CID 119773833
4-(1-aminocyclobutanecarbonyl)-3-methylpiperazine-2,6-dione
CID 81169141
4-(4-aminocyclohexanecarbonyl)-3-methylpiperazine-2,6-dione
CID 66063336
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-methyl-2-propylpiperidin-1-yl)ethanone
CID 119809602
1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 66062486
4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-1-methylpiperazin-2-one
CID 79614970

Frequently Asked Questions

What is the IUPAC name of 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-methylpiperazine-2,6-dione (CID 79615830) is 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1C(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-methylpiperazine-2,6-dione?
The InChIKey is VZPWGWOWEFUSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-8-14(20)16-12(18)7-17(8)13(19)6-9-4-10-2-3-11(5-9)15-10/h8-11,15H,2-7H2,1H3,(H,16,18,20).
What are the key properties of 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-methylpiperazine-2,6-dione?
4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-methylpiperazine-2,6-dione has a molecular weight of 279.34 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 79615830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).