4-(cyclopentanecarboximidoyl)-3-ethylpiperazin-2-one

C12H21N3O — CID 63603253

IUPAC4-(cyclopentanecarboximidoyl)-3-ethylpiperazin-2-one
SMILES[H]/N=C(\C1CCCC1)N1CCNC(=O)C1CC
InChIInChI=1S/C12H21N3O/c1-2-10-12(16)14-7-8-15(10)11(13)9-5-3-4-6-9/h9-10,13H,2-8H2,1H3,(H,14,16)/b13-11+
InChIKeyHFFWJGKEPWAWLB-ACCUITESSA-N
MW223.32 g/mol
LogP1.36
Rot. Bonds2

About 4-(cyclopentanecarboximidoyl)-3-ethylpiperazin-2-one

4-(cyclopentanecarboximidoyl)-3-ethylpiperazin-2-one (PubChem CID 63603253) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(cyclopentanecarboximidoyl)-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(cyclopentanecarboximidoyl)-3-ethylpiperazin-2-one
PubChem CID63603253
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-(cyclopentanecarboximidoyl)-3-ethylpiperazin-2-one
SMILES[H]/N=C(\C1CCCC1)N1CCNC(=O)C1CC
InChIInChI=1S/C12H21N3O/c1-2-10-12(16)14-7-8-15(10)11(13)9-5-3-4-6-9/h9-10,13H,2-8H2,1H3,(H,14,16)/b13-11+
InChIKeyHFFWJGKEPWAWLB-ACCUITESSA-N
XLogP1.36
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-ethanimidoyl-3-ethylpiperazin-2-one
CID 63603080
(2S)-2-ethyl-3-oxopiperazine-1-carbothioamide
CID 95240750
N-cyclohexyl-2-ethyl-3-oxopiperazine-1-carbothioamide
CID 115617006
N-(diaminomethylidene)-2-ethyl-3-oxopiperazine-1-carboximidamide
CID 83036781
4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one
CID 63600501
2-ethyl-N-methyl-3-oxopiperazine-1-carbothioamide
CID 115617005
(3S)-3-ethyl-4-(3-piperidin-4-ylpropanoyl)piperazin-2-one
CID 124559943
cyclohexyl-(2-ethylpiperidin-1-yl)methanimine
CID 63175453
3-ethyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one
CID 63600882
3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropanethioamide
CID 63603860
2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64816757
3-ethyl-4-(oxolane-3-carbonyl)piperazin-2-one
CID 63602606

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentanecarboximidoyl)-3-ethylpiperazin-2-one?
The IUPAC name of 4-(cyclopentanecarboximidoyl)-3-ethylpiperazin-2-one (CID 63603253) is 4-(cyclopentanecarboximidoyl)-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(cyclopentanecarboximidoyl)-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(cyclopentanecarboximidoyl)-3-ethylpiperazin-2-one is [H]/N=C(\C1CCCC1)N1CCNC(=O)C1CC.
What is the InChIKey of 4-(cyclopentanecarboximidoyl)-3-ethylpiperazin-2-one?
The InChIKey is HFFWJGKEPWAWLB-ACCUITESSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-10-12(16)14-7-8-15(10)11(13)9-5-3-4-6-9/h9-10,13H,2-8H2,1H3,(H,14,16)/b13-11+.
What are the key properties of 4-(cyclopentanecarboximidoyl)-3-ethylpiperazin-2-one?
4-(cyclopentanecarboximidoyl)-3-ethylpiperazin-2-one has a molecular weight of 223.32 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentanecarboximidoyl)-3-ethylpiperazin-2-one is sourced from PubChem (CID 63603253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).