3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]propanal

C23H32FN3O2 — CID 130214726

IUPAC3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]propanal
SMILESCN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(CCC=O)C(=O)N2CC1CC1
InChIInChI=1S/C23H32FN3O2/c1-25(2)23(19-5-3-6-20(24)15-19)11-9-22(10-12-23)17-26(13-4-14-28)21(29)27(22)16-18-7-8-18/h3,5-6,14-15,18H,4,7-13,16-17H2,1-2H3
InChIKeyCPFGXJILKQOOON-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.63
Rot. Bonds7

About 3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]propanal

3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]propanal (PubChem CID 130214726) has the molecular formula C23H32FN3O2 and a molecular weight of 401.53 g/mol. Its IUPAC name is 3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]propanal.

Molecular Properties

Compound Name3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]propanal
PubChem CID130214726
Molecular FormulaC23H32FN3O2
Molecular Weight401.53 g/mol
Exact Mass401.25
IUPAC Name3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]propanal
SMILESCN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(CCC=O)C(=O)N2CC1CC1
InChIInChI=1S/C23H32FN3O2/c1-25(2)23(19-5-3-6-20(24)15-19)11-9-22(10-12-23)17-26(13-4-14-28)21(29)27(22)16-18-7-8-18/h3,5-6,14-15,18H,4,7-13,16-17H2,1-2H3
InChIKeyCPFGXJILKQOOON-UHFFFAOYSA-N
XLogP3.63
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one
CID 158263194
1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-1,3-diazaspiro[4.5]decan-2-one
CID 130210910
1-[1-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpropan-2-yl]pyrrolidine-2,5-dione
CID 130202953
1-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propane-2-sulfinate
CID 155409697
1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one
CID 130202413
1-(cyclobutylmethyl)-3-[3-(3,4-dihydroxypyrrolidin-1-yl)-3-oxopropyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130201035
1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyrimidin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one
CID 130202422
1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one
CID 130202950
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-oxo-3-(6-oxo-1H-pyridin-2-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 157157133
1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 158020054
5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile
CID 157213807
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 130200593

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]propanal?
The IUPAC name of 3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]propanal (CID 130214726) is 3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]propanal.
What is the SMILES notation for 3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]propanal?
The canonical SMILES for 3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]propanal is CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(CCC=O)C(=O)N2CC1CC1.
What is the InChIKey of 3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]propanal?
The InChIKey is CPFGXJILKQOOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O2/c1-25(2)23(19-5-3-6-20(24)15-19)11-9-22(10-12-23)17-26(13-4-14-28)21(29)27(22)16-18-7-8-18/h3,5-6,14-15,18H,4,7-13,16-17H2,1-2H3.
What are the key properties of 3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]propanal?
3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]propanal has a molecular weight of 401.53 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]propanal is sourced from PubChem (CID 130214726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).