cyclopropyl-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-[(4-fluorophenyl)methyl]azanium

C19H25FN3O2+ — CID 9285758

IUPACcyclopropyl-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-[(4-fluorophenyl)methyl]azanium
SMILESO=C1NC2(CCCCC2)C(=O)N1C[NH+](Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C19H24FN3O2/c20-15-6-4-14(5-7-15)12-22(16-8-9-16)13-23-17(24)19(21-18(23)25)10-2-1-3-11-19/h4-7,16H,1-3,8-13H2,(H,21,25)/p+1
InChIKeyZLZMKXZCLWDEMZ-UHFFFAOYSA-O
MW346.43 g/mol
LogP1.59
Rot. Bonds5

About cyclopropyl-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-[(4-fluorophenyl)methyl]azanium

cyclopropyl-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-[(4-fluorophenyl)methyl]azanium (PubChem CID 9285758) has the molecular formula C19H25FN3O2+ and a molecular weight of 346.43 g/mol. Its IUPAC name is cyclopropyl-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-[(4-fluorophenyl)methyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-[(4-fluorophenyl)methyl]azanium
PubChem CID9285758
Molecular FormulaC19H25FN3O2+
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Namecyclopropyl-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-[(4-fluorophenyl)methyl]azanium
SMILESO=C1NC2(CCCCC2)C(=O)N1C[NH+](Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C19H24FN3O2/c20-15-6-4-14(5-7-15)12-22(16-8-9-16)13-23-17(24)19(21-18(23)25)10-2-1-3-11-19/h4-7,16H,1-3,8-13H2,(H,21,25)/p+1
InChIKeyZLZMKXZCLWDEMZ-UHFFFAOYSA-O
XLogP1.59
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclopropyl-[(4-fluorophenyl)methyl]-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]azanium
CID 9285702
cyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]methyl]azanium
CID 9285732
cyclopropyl-[(4-fluorophenyl)methyl]-[[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium
CID 9285740
3-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9285759
(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl-bis(2-phenylethyl)azanium
CID 9460381
(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium
CID 2470456
N-cyclohexyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 46632464
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 112774081
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4810094
(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl-[(3R)-1,1-dioxothiolan-3-yl]-(2-methoxyethyl)azanium
CID 9281335
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-1-(4-fluorophenyl)methanesulfonamide
CID 32678207
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2085043

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-[(4-fluorophenyl)methyl]azanium?
The IUPAC name of cyclopropyl-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-[(4-fluorophenyl)methyl]azanium (CID 9285758) is cyclopropyl-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-[(4-fluorophenyl)methyl]azanium.
What is the SMILES notation for cyclopropyl-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-[(4-fluorophenyl)methyl]azanium?
The canonical SMILES for cyclopropyl-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-[(4-fluorophenyl)methyl]azanium is O=C1NC2(CCCCC2)C(=O)N1C[NH+](Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of cyclopropyl-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-[(4-fluorophenyl)methyl]azanium?
The InChIKey is ZLZMKXZCLWDEMZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24FN3O2/c20-15-6-4-14(5-7-15)12-22(16-8-9-16)13-23-17(24)19(21-18(23)25)10-2-1-3-11-19/h4-7,16H,1-3,8-13H2,(H,21,25)/p+1.
What are the key properties of cyclopropyl-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-[(4-fluorophenyl)methyl]azanium?
cyclopropyl-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-[(4-fluorophenyl)methyl]azanium has a molecular weight of 346.43 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-[(4-fluorophenyl)methyl]azanium is sourced from PubChem (CID 9285758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).