cyclopent-3-en-1-yl-(4-pyrrolidin-3-ylpiperidin-1-yl)methanone

C15H24N2O — CID 91921253

IUPACcyclopent-3-en-1-yl-(4-pyrrolidin-3-ylpiperidin-1-yl)methanone
SMILESO=C(C1CC=CC1)N1CCC(C2CCNC2)CC1
InChIInChI=1S/C15H24N2O/c18-15(13-3-1-2-4-13)17-9-6-12(7-10-17)14-5-8-16-11-14/h1-2,12-14,16H,3-11H2
InChIKeyFHRKZOPOLVYZJS-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.80
Rot. Bonds2

About cyclopent-3-en-1-yl-(4-pyrrolidin-3-ylpiperidin-1-yl)methanone

cyclopent-3-en-1-yl-(4-pyrrolidin-3-ylpiperidin-1-yl)methanone (PubChem CID 91921253) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-(4-pyrrolidin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-(4-pyrrolidin-3-ylpiperidin-1-yl)methanone
PubChem CID91921253
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Namecyclopent-3-en-1-yl-(4-pyrrolidin-3-ylpiperidin-1-yl)methanone
SMILESO=C(C1CC=CC1)N1CCC(C2CCNC2)CC1
InChIInChI=1S/C15H24N2O/c18-15(13-3-1-2-4-13)17-9-6-12(7-10-17)14-5-8-16-11-14/h1-2,12-14,16H,3-11H2
InChIKeyFHRKZOPOLVYZJS-UHFFFAOYSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-(4-pyrrolidin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of cyclopent-3-en-1-yl-(4-pyrrolidin-3-ylpiperidin-1-yl)methanone (CID 91921253) is cyclopent-3-en-1-yl-(4-pyrrolidin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-(4-pyrrolidin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for cyclopent-3-en-1-yl-(4-pyrrolidin-3-ylpiperidin-1-yl)methanone is O=C(C1CC=CC1)N1CCC(C2CCNC2)CC1.
What is the InChIKey of cyclopent-3-en-1-yl-(4-pyrrolidin-3-ylpiperidin-1-yl)methanone?
The InChIKey is FHRKZOPOLVYZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c18-15(13-3-1-2-4-13)17-9-6-12(7-10-17)14-5-8-16-11-14/h1-2,12-14,16H,3-11H2.
What are the key properties of cyclopent-3-en-1-yl-(4-pyrrolidin-3-ylpiperidin-1-yl)methanone?
cyclopent-3-en-1-yl-(4-pyrrolidin-3-ylpiperidin-1-yl)methanone has a molecular weight of 248.37 g/mol, XLogP of 1.80, 2 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-(4-pyrrolidin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 91921253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).