N-cyclopent-3-en-1-yl-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide

C22H24F3N3O2 — CID 24994599

IUPACN-cyclopent-3-en-1-yl-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
SMILESO=C(CN1C(=O)C(c2ccc(C(F)(F)F)cc2)=NC12CCCCC2)NC1CC=CC1
InChIInChI=1S/C22H24F3N3O2/c23-22(24,25)16-10-8-15(9-11-16)19-20(30)28(21(27-19)12-4-1-5-13-21)14-18(29)26-17-6-2-3-7-17/h2-3,8-11,17H,1,4-7,12-14H2,(H,26,29)
InChIKeyDPCMQZHCWIIIRI-UHFFFAOYSA-N
MW419.45 g/mol
LogP3.83
Rot. Bonds4

About N-cyclopent-3-en-1-yl-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide

N-cyclopent-3-en-1-yl-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide (PubChem CID 24994599) has the molecular formula C22H24F3N3O2 and a molecular weight of 419.45 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
PubChem CID24994599
Molecular FormulaC22H24F3N3O2
Molecular Weight419.45 g/mol
Exact Mass419.18
IUPAC NameN-cyclopent-3-en-1-yl-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
SMILESO=C(CN1C(=O)C(c2ccc(C(F)(F)F)cc2)=NC12CCCCC2)NC1CC=CC1
InChIInChI=1S/C22H24F3N3O2/c23-22(24,25)16-10-8-15(9-11-16)19-20(30)28(21(27-19)12-4-1-5-13-21)14-18(29)26-17-6-2-3-7-17/h2-3,8-11,17H,1,4-7,12-14H2,(H,26,29)
InChIKeyDPCMQZHCWIIIRI-UHFFFAOYSA-N
XLogP3.83
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-cyclopent-3-en-1-yl-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The IUPAC name of N-cyclopent-3-en-1-yl-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide (CID 24994599) is N-cyclopent-3-en-1-yl-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide.
What is the SMILES notation for N-cyclopent-3-en-1-yl-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The canonical SMILES for N-cyclopent-3-en-1-yl-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide is O=C(CN1C(=O)C(c2ccc(C(F)(F)F)cc2)=NC12CCCCC2)NC1CC=CC1.
What is the InChIKey of N-cyclopent-3-en-1-yl-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The InChIKey is DPCMQZHCWIIIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O2/c23-22(24,25)16-10-8-15(9-11-16)19-20(30)28(21(27-19)12-4-1-5-13-21)14-18(29)26-17-6-2-3-7-17/h2-3,8-11,17H,1,4-7,12-14H2,(H,26,29).
What are the key properties of N-cyclopent-3-en-1-yl-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
N-cyclopent-3-en-1-yl-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide has a molecular weight of 419.45 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-yl-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide is sourced from PubChem (CID 24994599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).