1-[4-(4-aminocyclopent-2-ene-1-carbonyl)piperazin-1-yl]ethanone

C12H19N3O2 — CID 79211513

IUPAC1-[4-(4-aminocyclopent-2-ene-1-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2C=CC(N)C2)CC1
InChIInChI=1S/C12H19N3O2/c1-9(16)14-4-6-15(7-5-14)12(17)10-2-3-11(13)8-10/h2-3,10-11H,4-8,13H2,1H3
InChIKeySAVGHLALFNEHTL-UHFFFAOYSA-N
MW237.30 g/mol
LogP-0.42
Rot. Bonds1

About 1-[4-(4-aminocyclopent-2-ene-1-carbonyl)piperazin-1-yl]ethanone

1-[4-(4-aminocyclopent-2-ene-1-carbonyl)piperazin-1-yl]ethanone (PubChem CID 79211513) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[4-(4-aminocyclopent-2-ene-1-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-aminocyclopent-2-ene-1-carbonyl)piperazin-1-yl]ethanone
PubChem CID79211513
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[4-(4-aminocyclopent-2-ene-1-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2C=CC(N)C2)CC1
InChIInChI=1S/C12H19N3O2/c1-9(16)14-4-6-15(7-5-14)12(17)10-2-3-11(13)8-10/h2-3,10-11H,4-8,13H2,1H3
InChIKeySAVGHLALFNEHTL-UHFFFAOYSA-N
XLogP-0.42
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-aminocyclopent-2-en-1-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81104024
(4-aminocyclopent-2-en-1-yl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 79207806
(4-aminocyclopent-2-en-1-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 79207709
2-[4-(4-aminocyclopent-2-ene-1-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 79210332
(4-aminocyclopent-2-en-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114409211
(4-aminocyclopent-2-en-1-yl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103532882
(4-aminocyclopent-2-en-1-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 79191829
N-[1-(4-aminocyclopent-2-ene-1-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 79210721
1-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 79207238
N-[1-(4-aminocyclopent-2-ene-1-carbonyl)piperidin-4-yl]butanamide
CID 79211284
(4-aminocyclopent-2-en-1-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696679
(4-aminocyclopent-2-en-1-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
CID 79210804

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminocyclopent-2-ene-1-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-aminocyclopent-2-ene-1-carbonyl)piperazin-1-yl]ethanone (CID 79211513) is 1-[4-(4-aminocyclopent-2-ene-1-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-aminocyclopent-2-ene-1-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-aminocyclopent-2-ene-1-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)C2C=CC(N)C2)CC1.
What is the InChIKey of 1-[4-(4-aminocyclopent-2-ene-1-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is SAVGHLALFNEHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(16)14-4-6-15(7-5-14)12(17)10-2-3-11(13)8-10/h2-3,10-11H,4-8,13H2,1H3.
What are the key properties of 1-[4-(4-aminocyclopent-2-ene-1-carbonyl)piperazin-1-yl]ethanone?
1-[4-(4-aminocyclopent-2-ene-1-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 237.30 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminocyclopent-2-ene-1-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 79211513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).