1-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-2-methoxyethanone

C12H21N3O3 — CID 81172336

IUPAC1-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(C(=O)C2(N)CCC2)CC1
InChIInChI=1S/C12H21N3O3/c1-18-9-10(16)14-5-7-15(8-6-14)11(17)12(13)3-2-4-12/h2-9,13H2,1H3
InChIKeyKMKONHSAPNYICV-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.81
Rot. Bonds3

About 1-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-2-methoxyethanone

1-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-2-methoxyethanone (PubChem CID 81172336) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-2-methoxyethanone
PubChem CID81172336
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(C(=O)C2(N)CCC2)CC1
InChIInChI=1S/C12H21N3O3/c1-18-9-10(16)14-5-7-15(8-6-14)11(17)12(13)3-2-4-12/h2-9,13H2,1H3
InChIKeyKMKONHSAPNYICV-UHFFFAOYSA-N
XLogP-0.81
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-2-methoxyethanone 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

1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-methoxyethanone
CID 54872234
1-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]cyclobutane-1-carboxamide
CID 81178645
1-(4-acetyl-1,4-diazepan-1-yl)-2-methoxyethanone
CID 60712313
1-[4-(1-aminocyclopropanecarbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 65465983
4-(1-aminocyclobutanecarbonyl)-N-ethylpiperazine-1-carboxamide
CID 81173172
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 60947029
(1-aminocyclobutyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106586736
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(propan-2-ylamino)ethanone
CID 54872189
(1-aminocyclopentyl)-(azepan-1-yl)methanone
CID 60867017
N-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-2-methoxyacetamide
CID 65466624
1-[4-(2-methoxyacetyl)piperazin-1-yl]butane-1,3-dione
CID 54876612
1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone;hydrochloride
CID 119291699

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-2-methoxyethanone (CID 81172336) is 1-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-2-methoxyethanone is COCC(=O)N1CCN(C(=O)C2(N)CCC2)CC1.
What is the InChIKey of 1-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-2-methoxyethanone?
The InChIKey is KMKONHSAPNYICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-18-9-10(16)14-5-7-15(8-6-14)11(17)12(13)3-2-4-12/h2-9,13H2,1H3.
What are the key properties of 1-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-2-methoxyethanone?
1-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-2-methoxyethanone has a molecular weight of 255.32 g/mol, XLogP of -0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 81172336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).