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

C20H23N3O3 — CID 118743295

IUPAC6-acetyl-2-(furan-3-ylmethyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCC(=O)N1CC(=O)N(c2ccccc2)CC12CCN(Cc1ccoc1)C2
InChIInChI=1S/C20H23N3O3/c1-16(24)23-12-19(25)22(18-5-3-2-4-6-18)15-20(23)8-9-21(14-20)11-17-7-10-26-13-17/h2-7,10,13H,8-9,11-12,14-15H2,1H3
InChIKeyAKOUPXIHQDLUSE-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.12
Rot. Bonds3

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

6-acetyl-2-(furan-3-ylmethyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 118743295) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 6-acetyl-2-(furan-3-ylmethyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name6-acetyl-2-(furan-3-ylmethyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID118743295
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name6-acetyl-2-(furan-3-ylmethyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCC(=O)N1CC(=O)N(c2ccccc2)CC12CCN(Cc1ccoc1)C2
InChIInChI=1S/C20H23N3O3/c1-16(24)23-12-19(25)22(18-5-3-2-4-6-18)15-20(23)8-9-21(14-20)11-17-7-10-26-13-17/h2-7,10,13H,8-9,11-12,14-15H2,1H3
InChIKeyAKOUPXIHQDLUSE-UHFFFAOYSA-N
XLogP2.12
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-acetyl-2-(furan-3-ylmethyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 118739709
(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-benzyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 134073016
(5S)-6-acetyl-9-phenyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97496089
(5S)-6-acetyl-9-phenyl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373401
(5R)-6-acetyl-2-(furan-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373414
(5R)-9-(3-fluorophenyl)-2-(furan-3-ylmethyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373508
6-acetyl-2-(furan-2-ylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131638656
(5S)-6-acetyl-2-(furan-2-ylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97496157
1-[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone
CID 97412788
6-acetyl-2-[(4-methoxyphenyl)methyl]-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131652078
6-acetyl-9-(1-methylpyrazol-4-yl)-2-(pyridin-4-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 131644928

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-(furan-3-ylmethyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of 6-acetyl-2-(furan-3-ylmethyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one (CID 118743295) is 6-acetyl-2-(furan-3-ylmethyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for 6-acetyl-2-(furan-3-ylmethyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for 6-acetyl-2-(furan-3-ylmethyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one is CC(=O)N1CC(=O)N(c2ccccc2)CC12CCN(Cc1ccoc1)C2.
What is the InChIKey of 6-acetyl-2-(furan-3-ylmethyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is AKOUPXIHQDLUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-16(24)23-12-19(25)22(18-5-3-2-4-6-18)15-20(23)8-9-21(14-20)11-17-7-10-26-13-17/h2-7,10,13H,8-9,11-12,14-15H2,1H3.
What are the key properties of 6-acetyl-2-(furan-3-ylmethyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
6-acetyl-2-(furan-3-ylmethyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 353.42 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-(furan-3-ylmethyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 118743295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).