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

C13H23N3O3 — CID 54872234

IUPAC1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(C(=O)C2(N)CCCC2)CC1
InChIInChI=1S/C13H23N3O3/c1-19-10-11(17)15-6-8-16(9-7-15)12(18)13(14)4-2-3-5-13/h2-10,14H2,1H3
InChIKeyUZKNQWNRWUIQKX-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.42
Rot. Bonds3

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

1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-methoxyethanone (PubChem CID 54872234) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-methoxyethanone
PubChem CID54872234
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(C(=O)C2(N)CCCC2)CC1
InChIInChI=1S/C13H23N3O3/c1-19-10-11(17)15-6-8-16(9-7-15)12(18)13(14)4-2-3-5-13/h2-10,14H2,1H3
InChIKeyUZKNQWNRWUIQKX-UHFFFAOYSA-N
XLogP-0.42
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-2-methoxyethanone
CID 81172336
(1-aminocyclopentyl)-(azepan-1-yl)methanone
CID 60867017
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
1-(1-aminocyclopentyl)-2-methoxyethanone
CID 116558746
1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone;hydrochloride
CID 119291699
4-(1-aminocyclopentanecarbonyl)-N,N-diethylpiperazine-1-carboxamide
CID 60964289
1-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]cyclobutane-1-carboxamide
CID 81178645
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 60947029
2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;dihydrochloride
CID 119833997
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(propan-2-ylamino)ethanone
CID 54872189
1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119269732

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-methoxyethanone (CID 54872234) is 1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-methoxyethanone is COCC(=O)N1CCN(C(=O)C2(N)CCCC2)CC1.
What is the InChIKey of 1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-methoxyethanone?
The InChIKey is UZKNQWNRWUIQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-19-10-11(17)15-6-8-16(9-7-15)12(18)13(14)4-2-3-5-13/h2-10,14H2,1H3.
What are the key properties of 1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-methoxyethanone?
1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-methoxyethanone has a molecular weight of 269.34 g/mol, XLogP of -0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 54872234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).