cyclopent-3-en-1-yl-(2,5-diethylpiperazin-1-yl)methanone

C14H24N2O — CID 64978451

IUPACcyclopent-3-en-1-yl-(2,5-diethylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)C2CC=CC2)C(CC)CN1
InChIInChI=1S/C14H24N2O/c1-3-12-10-16(13(4-2)9-15-12)14(17)11-7-5-6-8-11/h5-6,11-13,15H,3-4,7-10H2,1-2H3
InChIKeyMXOKEKGZVAPNAN-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.94
Rot. Bonds3

About cyclopent-3-en-1-yl-(2,5-diethylpiperazin-1-yl)methanone

cyclopent-3-en-1-yl-(2,5-diethylpiperazin-1-yl)methanone (PubChem CID 64978451) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-(2,5-diethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-(2,5-diethylpiperazin-1-yl)methanone
PubChem CID64978451
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Namecyclopent-3-en-1-yl-(2,5-diethylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)C2CC=CC2)C(CC)CN1
InChIInChI=1S/C14H24N2O/c1-3-12-10-16(13(4-2)9-15-12)14(17)11-7-5-6-8-11/h5-6,11-13,15H,3-4,7-10H2,1-2H3
InChIKeyMXOKEKGZVAPNAN-UHFFFAOYSA-N
XLogP1.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclobutyl-(2,5-diethylpiperazin-1-yl)methanone
CID 64978279
4-(2,5-diethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 83192198
1-(2,5-diethylpiperazin-1-yl)butan-1-one
CID 64977925
azepan-1-yl-(2,5-diethylpiperazin-1-yl)methanone
CID 79152036
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-diethylpiperazin-1-yl)methanone
CID 66394405
(3,5-dibromophenyl)-(2,5-diethylpiperazin-1-yl)methanone
CID 107973323
(2,5-diethylpiperazin-1-yl)-(4-iodophenyl)methanone
CID 64978233
1-(2,5-diethylpiperazin-1-yl)octan-1-one
CID 64978357
(2,5-diethylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone
CID 64978507
(2,5-diethylpiperazin-1-yl)-pyridin-3-ylmethanone
CID 64978518
2-cyclohexyl-1-(2,5-diethylpiperazin-1-yl)ethanone
CID 64978349
2-(4-bromophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone
CID 64977891

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-(2,5-diethylpiperazin-1-yl)methanone?
The IUPAC name of cyclopent-3-en-1-yl-(2,5-diethylpiperazin-1-yl)methanone (CID 64978451) is cyclopent-3-en-1-yl-(2,5-diethylpiperazin-1-yl)methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-(2,5-diethylpiperazin-1-yl)methanone?
The canonical SMILES for cyclopent-3-en-1-yl-(2,5-diethylpiperazin-1-yl)methanone is CCC1CN(C(=O)C2CC=CC2)C(CC)CN1.
What is the InChIKey of cyclopent-3-en-1-yl-(2,5-diethylpiperazin-1-yl)methanone?
The InChIKey is MXOKEKGZVAPNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-12-10-16(13(4-2)9-15-12)14(17)11-7-5-6-8-11/h5-6,11-13,15H,3-4,7-10H2,1-2H3.
What are the key properties of cyclopent-3-en-1-yl-(2,5-diethylpiperazin-1-yl)methanone?
cyclopent-3-en-1-yl-(2,5-diethylpiperazin-1-yl)methanone has a molecular weight of 236.36 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-(2,5-diethylpiperazin-1-yl)methanone is sourced from PubChem (CID 64978451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).