7-[(2,3-difluorophenyl)methyl]-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one

C20H24F2N2O2 — CID 45201470

IUPAC7-[(2,3-difluorophenyl)methyl]-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one
SMILESC=CCCC(=O)N1CCC2(CCCN(Cc3cccc(F)c3F)C2=O)C1
InChIInChI=1S/C20H24F2N2O2/c1-2-3-8-17(25)24-12-10-20(14-24)9-5-11-23(19(20)26)13-15-6-4-7-16(21)18(15)22/h2,4,6-7H,1,3,5,8-14H2
InChIKeyMOEGDIHLXCKGEM-UHFFFAOYSA-N
MW362.42 g/mol
LogP3.27
Rot. Bonds5

About 7-[(2,3-difluorophenyl)methyl]-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one

7-[(2,3-difluorophenyl)methyl]-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45201470) has the molecular formula C20H24F2N2O2 and a molecular weight of 362.42 g/mol. Its IUPAC name is 7-[(2,3-difluorophenyl)methyl]-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-[(2,3-difluorophenyl)methyl]-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45201470
Molecular FormulaC20H24F2N2O2
Molecular Weight362.42 g/mol
Exact Mass362.18
IUPAC Name7-[(2,3-difluorophenyl)methyl]-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one
SMILESC=CCCC(=O)N1CCC2(CCCN(Cc3cccc(F)c3F)C2=O)C1
InChIInChI=1S/C20H24F2N2O2/c1-2-3-8-17(25)24-12-10-20(14-24)9-5-11-23(19(20)26)13-15-6-4-7-16(21)18(15)22/h2,4,6-7H,1,3,5,8-14H2
InChIKeyMOEGDIHLXCKGEM-UHFFFAOYSA-N
XLogP3.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,8-Dibenzyl-2,8-diazaspiro[5.5]undecane-1,7-dione
CID 1043268
1-(2-Fluorobenzyl)-3-(1-pyrrolidinylcarbonyl)piperidine oxalate
CID 2933676
1-benzyl-N,N-diethyl-3-piperidinecarboxamide
CID 2838082
1-Benzyl-4,4-dimethylpiperidine-2,6-dione
CID 4417522
N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446757
N-[(2,3-difluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446778
N-[(2,5-difluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446783
8-Benzoyl-2-[(2,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 168282338
8-Benzoyl-2-[(2-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 168288159
7-Benzyl-2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione
CID 2868934
2-Pyrrolidinone, 1-((4-fluorophenyl)methyl)-
CID 3045446
(1-Benzylpiperidin-4-yl)-pyrrolidin-1-ylmethanone
CID 883949

Frequently Asked Questions

What is the IUPAC name of 7-[(2,3-difluorophenyl)methyl]-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-[(2,3-difluorophenyl)methyl]-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one (CID 45201470) is 7-[(2,3-difluorophenyl)methyl]-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-[(2,3-difluorophenyl)methyl]-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-[(2,3-difluorophenyl)methyl]-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one is C=CCCC(=O)N1CCC2(CCCN(Cc3cccc(F)c3F)C2=O)C1.
What is the InChIKey of 7-[(2,3-difluorophenyl)methyl]-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is MOEGDIHLXCKGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O2/c1-2-3-8-17(25)24-12-10-20(14-24)9-5-11-23(19(20)26)13-15-6-4-7-16(21)18(15)22/h2,4,6-7H,1,3,5,8-14H2.
What are the key properties of 7-[(2,3-difluorophenyl)methyl]-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one?
7-[(2,3-difluorophenyl)methyl]-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 362.42 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,3-difluorophenyl)methyl]-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45201470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).