8-butyl-1-(4-chlorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one

C17H24ClN3O — CID 123914569

IUPAC8-butyl-1-(4-chlorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCCCCN1CCC2(CC1)C(=O)NCN2c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClN3O/c1-2-3-10-20-11-8-17(9-12-20)16(22)19-13-21(17)15-6-4-14(18)5-7-15/h4-7H,2-3,8-13H2,1H3,(H,19,22)
InChIKeyFPBAXETYFUZLEG-UHFFFAOYSA-N
MW321.85 g/mol
LogP2.87
Rot. Bonds4

About 8-butyl-1-(4-chlorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one

8-butyl-1-(4-chlorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 123914569) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is 8-butyl-1-(4-chlorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-butyl-1-(4-chlorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID123914569
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC Name8-butyl-1-(4-chlorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCCCCN1CCC2(CC1)C(=O)NCN2c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClN3O/c1-2-3-10-20-11-8-17(9-12-20)16(22)19-13-21(17)15-6-4-14(18)5-7-15/h4-7H,2-3,8-13H2,1H3,(H,19,22)
InChIKeyFPBAXETYFUZLEG-UHFFFAOYSA-N
XLogP2.87
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 22022233
8-(3-chloropropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 21453222
1-(4-bromophenyl)-8-(4-methylpentyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 123827073
8-(2-aminoethyl)-1-(3,4-difluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 46939133
1-(4-chlorophenyl)-8-[[4-(4-chlorophenyl)-2-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 54186801
8-[[4-(4-chlorophenyl)-2-pyridinyl]methyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 54296121
2-amino-N-[2-[1-(4-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-4-fluorobenzamide
CID 21428870
8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 23377559
2-chloro-4-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide
CID 21428852
8-[4,4-bis(4-fluorophenyl)cyclohexyl]-1-(4-chlorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 3045886
8-[4-[4-(1,1-difluoroethyl)phenyl]-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 157224254
methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanoic acid
CID 159087750

Frequently Asked Questions

What is the IUPAC name of 8-butyl-1-(4-chlorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-butyl-1-(4-chlorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one (CID 123914569) is 8-butyl-1-(4-chlorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-butyl-1-(4-chlorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-butyl-1-(4-chlorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one is CCCCN1CCC2(CC1)C(=O)NCN2c1ccc(Cl)cc1.
What is the InChIKey of 8-butyl-1-(4-chlorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is FPBAXETYFUZLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O/c1-2-3-10-20-11-8-17(9-12-20)16(22)19-13-21(17)15-6-4-14(18)5-7-15/h4-7H,2-3,8-13H2,1H3,(H,19,22).
What are the key properties of 8-butyl-1-(4-chlorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one?
8-butyl-1-(4-chlorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 321.85 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-1-(4-chlorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 123914569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).