[5-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]methyl acetate

C21H25N3O4 — CID 3763751

IUPAC[5-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]methyl acetate
SMILESCC(=O)OCc1ccc(CN2CCC3(CC2)C(=O)NCN3c2ccccc2)o1
InChIInChI=1S/C21H25N3O4/c1-16(25)27-14-19-8-7-18(28-19)13-23-11-9-21(10-12-23)20(26)22-15-24(21)17-5-3-2-4-6-17/h2-8H,9-15H2,1H3,(H,22,26)
InChIKeyICNXJCVTNMZGHS-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.27
Rot. Bonds5

About [5-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]methyl acetate

[5-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]methyl acetate (PubChem CID 3763751) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is [5-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]methyl acetate.

Molecular Properties

Compound Name[5-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]methyl acetate
PubChem CID3763751
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name[5-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]methyl acetate
SMILESCC(=O)OCc1ccc(CN2CCC3(CC2)C(=O)NCN3c2ccccc2)o1
InChIInChI=1S/C21H25N3O4/c1-16(25)27-14-19-8-7-18(28-19)13-23-11-9-21(10-12-23)20(26)22-15-24(21)17-5-3-2-4-6-17/h2-8H,9-15H2,1H3,(H,22,26)
InChIKeyICNXJCVTNMZGHS-UHFFFAOYSA-N
XLogP2.27
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]methyl acetate with MolForge

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Related Compounds

8-[(1-aminocyclopentyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 53470301
8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 23377559
methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanoic acid
CID 159087750
8-(1λ3-iodacyclohexa-1,3,5-trien-4-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 154012135
8-[(5-acetyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 154138301
[4-methyl-1-[8-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)octyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 10283086
3-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]benzonitrile
CID 3688277
2-methyl-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide
CID 21428990
8-[[3-[(4-nitrophenoxy)methyl]phenyl]methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 46215965
(Z)-4-oxo-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)but-2-enoic acid
CID 45109158
8-[3-(2-methoxyphenyl)prop-2-enyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 4997901
8-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 54025158

Frequently Asked Questions

What is the IUPAC name of [5-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]methyl acetate?
The IUPAC name of [5-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]methyl acetate (CID 3763751) is [5-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]methyl acetate.
What is the SMILES notation for [5-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]methyl acetate?
The canonical SMILES for [5-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]methyl acetate is CC(=O)OCc1ccc(CN2CCC3(CC2)C(=O)NCN3c2ccccc2)o1.
What is the InChIKey of [5-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]methyl acetate?
The InChIKey is ICNXJCVTNMZGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-16(25)27-14-19-8-7-18(28-19)13-23-11-9-21(10-12-23)20(26)22-15-24(21)17-5-3-2-4-6-17/h2-8H,9-15H2,1H3,(H,22,26).
What are the key properties of [5-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]methyl acetate?
[5-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]methyl acetate has a molecular weight of 383.45 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]methyl acetate is sourced from PubChem (CID 3763751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).