1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one

C23H31N3O3 — CID 162634668

IUPAC1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C1CCCN1CCC(=O)N1CCCC12CCCN(CCc1ccccc1)C2=O
InChIInChI=1S/C23H31N3O3/c27-20-9-4-14-24(20)18-11-21(28)26-16-6-13-23(26)12-5-15-25(22(23)29)17-10-19-7-2-1-3-8-19/h1-3,7-8H,4-6,9-18H2
InChIKeyHFATVULOIIAKPG-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.23
Rot. Bonds6

About 1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one

1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162634668) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162634668
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C1CCCN1CCC(=O)N1CCCC12CCCN(CCc1ccccc1)C2=O
InChIInChI=1S/C23H31N3O3/c27-20-9-4-14-24(20)18-11-21(28)26-16-6-13-23(26)12-5-15-25(22(23)29)17-10-19-7-2-1-3-8-19/h1-3,7-8H,4-6,9-18H2
InChIKeyHFATVULOIIAKPG-UHFFFAOYSA-N
XLogP2.23
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162638324
1-(2-cyclopentylacetyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162628512
1-[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163316192
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162629688
1-(1H-imidazole-5-carbonyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162633803
9-(2-phenylethyl)-1-(1H-pyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163308559
1-[3-(2-fluorophenyl)propanoyl]-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162635282
1-(1H-indole-2-carbonyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162626984
9-(2-hydroxyethyl)-1-[2-(3-hydroxyphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 157019313
1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride
CID 142636287
4-chloro-N-(2-phenylethyl)butanamide;methane;1-(2-phenylethyl)pyrrolidin-2-one
CID 158371440
1-[3-oxo-3-[2-(2-phenylethyl)morpholin-4-yl]propyl]azepan-2-one
CID 45227906

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162634668) is 1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one is O=C1CCCN1CCC(=O)N1CCCC12CCCN(CCc1ccccc1)C2=O.
What is the InChIKey of 1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is HFATVULOIIAKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c27-20-9-4-14-24(20)18-11-21(28)26-16-6-13-23(26)12-5-15-25(22(23)29)17-10-19-7-2-1-3-8-19/h1-3,7-8H,4-6,9-18H2.
What are the key properties of 1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one?
1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 397.52 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162634668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).