4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoic acid

C17H23N3O3 — CID 171114952

IUPAC4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoic acid
SMILESO=C(O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C17H23N3O3/c21-15(22)7-4-10-19-11-8-17(9-12-19)16(23)18-13-20(17)14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H,18,23)(H,21,22)
InChIKeyWNRRFNWVXBTWOR-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.28
Rot. Bonds5

About 4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoic acid

4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoic acid (PubChem CID 171114952) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoic acid.

Molecular Properties

Compound Name4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoic acid
PubChem CID171114952
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoic acid
SMILESO=C(O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C17H23N3O3/c21-15(22)7-4-10-19-11-8-17(9-12-19)16(23)18-13-20(17)14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H,18,23)(H,21,22)
InChIKeyWNRRFNWVXBTWOR-UHFFFAOYSA-N
XLogP1.28
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Phenyl-1,3,8-triazaspiro(4.5)decan-4-one
CID 70556
1,3,8-Triazaspiro(4.5)decan-4-one, 8-(4-(p-fluorophenyl)butyl)-1-phenyl-
CID 120580
4-Imidazolidineacetic acid, 2,5-dioxo-1-phenyl-
CID 2913270
8-Cyclodecyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 9842289
8-Cyclononyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 9885004
8-Cyclododecyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 10000890
8-Cycloundecyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 19347356
8-Benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 70419
1,3,8-Triazaspiro(4.5)decan-4-one, 3-methyl-1-phenyl-, hydrochloride (1:1)
CID 197731
8-Phenethyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 4092325
8-(4-Methyl-cyclohexyl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 9883872
1-Phenyl-8-(3-phenyl-propyl)-1,3,8-triaza-spiro[4.5]decan-4-one
CID 10497999

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoic acid?
The IUPAC name of 4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoic acid (CID 171114952) is 4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoic acid.
What is the SMILES notation for 4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoic acid?
The canonical SMILES for 4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoic acid is O=C(O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1.
What is the InChIKey of 4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoic acid?
The InChIKey is WNRRFNWVXBTWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-15(22)7-4-10-19-11-8-17(9-12-19)16(23)18-13-20(17)14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H,18,23)(H,21,22).
What are the key properties of 4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoic acid?
4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoic acid has a molecular weight of 317.39 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoic acid is sourced from PubChem (CID 171114952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).