6-acetyl-2-(oxane-4-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one

C21H27N3O4 — CID 131648514

IUPAC6-acetyl-2-(oxane-4-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCC(=O)N1CC(=O)N(c2ccccc2)CC12CCN(C(=O)C1CCOCC1)C2
InChIInChI=1S/C21H27N3O4/c1-16(25)24-13-19(26)23(18-5-3-2-4-6-18)15-21(24)9-10-22(14-21)20(27)17-7-11-28-12-8-17/h2-6,17H,7-15H2,1H3
InChIKeyYXLKRAXCSRDUQL-UHFFFAOYSA-N
MW385.46 g/mol
LogP1.28
Rot. Bonds2

About 6-acetyl-2-(oxane-4-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one

6-acetyl-2-(oxane-4-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 131648514) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 6-acetyl-2-(oxane-4-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name6-acetyl-2-(oxane-4-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID131648514
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name6-acetyl-2-(oxane-4-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCC(=O)N1CC(=O)N(c2ccccc2)CC12CCN(C(=O)C1CCOCC1)C2
InChIInChI=1S/C21H27N3O4/c1-16(25)24-13-19(26)23(18-5-3-2-4-6-18)15-21(24)9-10-22(14-21)20(27)17-7-11-28-12-8-17/h2-6,17H,7-15H2,1H3
InChIKeyYXLKRAXCSRDUQL-UHFFFAOYSA-N
XLogP1.28
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-6-acetyl-2-(furan-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373414
(5R)-6-acetyl-2-(2-methoxyacetyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373436
(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
6-acetyl-2-(5-fluoropyrimidin-2-yl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131656473
(5R)-6-acetyl-2-[(5-methylthiophen-2-yl)methyl]-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373405
(5R)-6-acetyl-9-(1-methylpyrazol-4-yl)-2-(pyrrolidine-1-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373737
(5S)-6-acetyl-9-phenyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97496089
6-methyl-9-phenyl-2-(pyrazolidine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 134073025
2-(cyclopentanecarbonyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131662037
6-acetyl-2-benzyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 134073016

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-(oxane-4-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of 6-acetyl-2-(oxane-4-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one (CID 131648514) is 6-acetyl-2-(oxane-4-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for 6-acetyl-2-(oxane-4-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for 6-acetyl-2-(oxane-4-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one is CC(=O)N1CC(=O)N(c2ccccc2)CC12CCN(C(=O)C1CCOCC1)C2.
What is the InChIKey of 6-acetyl-2-(oxane-4-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is YXLKRAXCSRDUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-16(25)24-13-19(26)23(18-5-3-2-4-6-18)15-21(24)9-10-22(14-21)20(27)17-7-11-28-12-8-17/h2-6,17H,7-15H2,1H3.
What are the key properties of 6-acetyl-2-(oxane-4-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
6-acetyl-2-(oxane-4-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 385.46 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-(oxane-4-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 131648514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).