4-(2-amino-1-methylcyclopentanecarbonyl)-3-methylpiperazine-2,6-dione

C12H19N3O3 — CID 82768178

IUPAC4-(2-amino-1-methylcyclopentanecarbonyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)C1(C)CCCC1N
InChIInChI=1S/C12H19N3O3/c1-7-10(17)14-9(16)6-15(7)11(18)12(2)5-3-4-8(12)13/h7-8H,3-6,13H2,1-2H3,(H,14,16,17)
InChIKeyGZCJJZXWLBSQKL-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.62
Rot. Bonds1

About 4-(2-amino-1-methylcyclopentanecarbonyl)-3-methylpiperazine-2,6-dione

4-(2-amino-1-methylcyclopentanecarbonyl)-3-methylpiperazine-2,6-dione (PubChem CID 82768178) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-(2-amino-1-methylcyclopentanecarbonyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-amino-1-methylcyclopentanecarbonyl)-3-methylpiperazine-2,6-dione
PubChem CID82768178
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-(2-amino-1-methylcyclopentanecarbonyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)C1(C)CCCC1N
InChIInChI=1S/C12H19N3O3/c1-7-10(17)14-9(16)6-15(7)11(18)12(2)5-3-4-8(12)13/h7-8H,3-6,13H2,1-2H3,(H,14,16,17)
InChIKeyGZCJJZXWLBSQKL-UHFFFAOYSA-N
XLogP-0.62
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-amino-1-methylcyclopentanecarbonyl)-3-methylpiperazine-2,6-dione with MolForge

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Related Compounds

4-(2-amino-1-methylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione
CID 82768361
4-(1-aminocyclobutanecarbonyl)-3-methylpiperazine-2,6-dione
CID 81169141
4-(4-aminocyclohexanecarbonyl)-3-methylpiperazine-2,6-dione
CID 66063336
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(2-amino-1-methylcyclopentyl)methanone
CID 82767365
2-methyl-3,5-dioxopiperazine-1-carbohydrazide
CID 66074885
4-(2,2-difluoroacetyl)-3-methylpiperazine-2,6-dione
CID 103514063
(1R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 129318014
trans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 55284582
4-(4-ethylpiperidine-4-carbonyl)-3-methylpiperazine-2,6-dione
CID 66076005
4-[1-(4-bromophenyl)cyclopropanecarbonyl]-3-methylpiperazine-2,6-dione
CID 66063502
4-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpiperazine-2,6-dione
CID 79207069
3-methyl-4-propanoylpiperazine-2,6-dione
CID 66061335

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-methylcyclopentanecarbonyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(2-amino-1-methylcyclopentanecarbonyl)-3-methylpiperazine-2,6-dione (CID 82768178) is 4-(2-amino-1-methylcyclopentanecarbonyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2-amino-1-methylcyclopentanecarbonyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(2-amino-1-methylcyclopentanecarbonyl)-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1C(=O)C1(C)CCCC1N.
What is the InChIKey of 4-(2-amino-1-methylcyclopentanecarbonyl)-3-methylpiperazine-2,6-dione?
The InChIKey is GZCJJZXWLBSQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-7-10(17)14-9(16)6-15(7)11(18)12(2)5-3-4-8(12)13/h7-8H,3-6,13H2,1-2H3,(H,14,16,17).
What are the key properties of 4-(2-amino-1-methylcyclopentanecarbonyl)-3-methylpiperazine-2,6-dione?
4-(2-amino-1-methylcyclopentanecarbonyl)-3-methylpiperazine-2,6-dione has a molecular weight of 253.30 g/mol, XLogP of -0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-methylcyclopentanecarbonyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 82768178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).