8-acetyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C21H28N4O3 — CID 3443375

IUPAC8-acetyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCC(=O)N1CCC2(CC1)C(=O)N(CC(=O)N1CCCC1)CN2c1ccccc1
InChIInChI=1S/C21H28N4O3/c1-17(26)22-13-9-21(10-14-22)20(28)24(15-19(27)23-11-5-6-12-23)16-25(21)18-7-3-2-4-8-18/h2-4,7-8H,5-6,9-16H2,1H3
InChIKeyYIWKQABNNBIHHL-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.30
Rot. Bonds3

About 8-acetyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-acetyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 3443375) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 8-acetyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-acetyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID3443375
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name8-acetyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCC(=O)N1CCC2(CC1)C(=O)N(CC(=O)N1CCCC1)CN2c1ccccc1
InChIInChI=1S/C21H28N4O3/c1-17(26)22-13-9-21(10-14-22)20(28)24(15-19(27)23-11-5-6-12-23)16-25(21)18-7-3-2-4-8-18/h2-4,7-8H,5-6,9-16H2,1H3
InChIKeyYIWKQABNNBIHHL-UHFFFAOYSA-N
XLogP1.30
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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8-(cyclopentanecarbonyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-8-(benzenesulfonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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CID 3693321
8-(2,4-dichlorobenzoyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 3966766
3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-8-(cyclobutanecarbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 3543105
N-(3,5-dimethoxyphenyl)-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 3993791
8-butanoyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 3411128
N-(3-chlorophenyl)-4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 42771010

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-acetyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 3443375) is 8-acetyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-acetyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-acetyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is CC(=O)N1CCC2(CC1)C(=O)N(CC(=O)N1CCCC1)CN2c1ccccc1.
What is the InChIKey of 8-acetyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is YIWKQABNNBIHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-17(26)22-13-9-21(10-14-22)20(28)24(15-19(27)23-11-5-6-12-23)16-25(21)18-7-3-2-4-8-18/h2-4,7-8H,5-6,9-16H2,1H3.
What are the key properties of 8-acetyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-acetyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 384.48 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 3443375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).