(5R)-6-acetyl-2-(furan-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one

C20H21N3O4 — CID 97373414

IUPAC(5R)-6-acetyl-2-(furan-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)c1ccoc1)C2
InChIInChI=1S/C20H21N3O4/c1-15(24)23-11-18(25)22(17-5-3-2-4-6-17)14-20(23)8-9-21(13-20)19(26)16-7-10-27-12-16/h2-7,10,12H,8-9,11,13-14H2,1H3/t20-/m1/s1
InChIKeyTXUCHSJIOAQMCK-HXUWFJFHSA-N
MW367.40 g/mol
LogP1.76
Rot. Bonds2

About (5R)-6-acetyl-2-(furan-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one

(5R)-6-acetyl-2-(furan-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 97373414) has the molecular formula C20H21N3O4 and a molecular weight of 367.40 g/mol. Its IUPAC name is (5R)-6-acetyl-2-(furan-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name(5R)-6-acetyl-2-(furan-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID97373414
Molecular FormulaC20H21N3O4
Molecular Weight367.40 g/mol
Exact Mass367.15
IUPAC Name(5R)-6-acetyl-2-(furan-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)c1ccoc1)C2
InChIInChI=1S/C20H21N3O4/c1-15(24)23-11-18(25)22(17-5-3-2-4-6-17)14-20(23)8-9-21(13-20)19(26)16-7-10-27-12-16/h2-7,10,12H,8-9,11,13-14H2,1H3/t20-/m1/s1
InChIKeyTXUCHSJIOAQMCK-HXUWFJFHSA-N
XLogP1.76
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R)-6-acetyl-2-(furan-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one with MolForge

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Related Compounds

(5S)-6-acetyl-2-(2-methylfuran-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373416
(5S)-6-acetyl-9-phenyl-2-(thiophene-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373429
6-acetyl-2-(furan-3-ylmethyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 118743295
(5R)-6-acetyl-2-(2-methoxyacetyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373436
6-acetyl-2-(oxane-4-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131648514
2-benzoyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131638275
(5S)-6-acetyl-2-(3-chlorobenzoyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373743
(5R)-6-acetyl-2-[(5-methylthiophen-2-yl)methyl]-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373405
6-acetyl-2-(5-fluoropyrimidin-2-yl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131656473
1-[7-(furan-3-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone
CID 97472729
(5S)-6-acetyl-9-phenyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97496089
2-(3-fluorophenyl)-7-(furan-3-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131642152

Frequently Asked Questions

What is the IUPAC name of (5R)-6-acetyl-2-(furan-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of (5R)-6-acetyl-2-(furan-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one (CID 97373414) is (5R)-6-acetyl-2-(furan-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for (5R)-6-acetyl-2-(furan-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for (5R)-6-acetyl-2-(furan-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one is CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)c1ccoc1)C2.
What is the InChIKey of (5R)-6-acetyl-2-(furan-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is TXUCHSJIOAQMCK-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-15(24)23-11-18(25)22(17-5-3-2-4-6-17)14-20(23)8-9-21(13-20)19(26)16-7-10-27-12-16/h2-7,10,12H,8-9,11,13-14H2,1H3/t20-/m1/s1.
What are the key properties of (5R)-6-acetyl-2-(furan-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
(5R)-6-acetyl-2-(furan-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 367.40 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-acetyl-2-(furan-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 97373414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).