3-phenyl-3-(piperidine-1-carbonyl)-5-azaspiro[3.4]octan-6-one

C19H24N2O2 — CID 175852427

IUPAC3-phenyl-3-(piperidine-1-carbonyl)-5-azaspiro[3.4]octan-6-one
SMILESO=C1CCC2(CCC2(C(=O)N2CCCCC2)c2ccccc2)N1
InChIInChI=1S/C19H24N2O2/c22-16-9-10-18(20-16)11-12-19(18,15-7-3-1-4-8-15)17(23)21-13-5-2-6-14-21/h1,3-4,7-8H,2,5-6,9-14H2,(H,20,22)
InChIKeyXWUMWNOGDOERFT-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.38
Rot. Bonds2

About 3-phenyl-3-(piperidine-1-carbonyl)-5-azaspiro[3.4]octan-6-one

3-phenyl-3-(piperidine-1-carbonyl)-5-azaspiro[3.4]octan-6-one (PubChem CID 175852427) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-phenyl-3-(piperidine-1-carbonyl)-5-azaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name3-phenyl-3-(piperidine-1-carbonyl)-5-azaspiro[3.4]octan-6-one
PubChem CID175852427
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-phenyl-3-(piperidine-1-carbonyl)-5-azaspiro[3.4]octan-6-one
SMILESO=C1CCC2(CCC2(C(=O)N2CCCCC2)c2ccccc2)N1
InChIInChI=1S/C19H24N2O2/c22-16-9-10-18(20-16)11-12-19(18,15-7-3-1-4-8-15)17(23)21-13-5-2-6-14-21/h1,3-4,7-8H,2,5-6,9-14H2,(H,20,22)
InChIKeyXWUMWNOGDOERFT-UHFFFAOYSA-N
XLogP2.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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azepan-1-yl-[(5S,7R)-3-phenyl-1-adamantyl]methanone
CID 52510423
(1-phenylcyclobutyl)-piperazin-1-ylmethanone
CID 110463899
2-benzyl-2-(piperidine-1-carbonyl)-1,3-dihydroquinazolin-4-one
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3-(1-phenylcyclohexanecarbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 154819330
5-[3-(azepan-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
CID 110677250
5-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]-5-benzylpyrrolidin-2-one
CID 45188730
(5S)-5-[3-[(3S)-3-benzoylpiperidin-1-yl]-3-oxopropyl]-5-benzylpyrrolidin-2-one
CID 42238090
1'-(1-phenylcyclopentanecarbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46950624
(4S)-3'-[2-(azepan-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2705993
(4R)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2706127

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-(piperidine-1-carbonyl)-5-azaspiro[3.4]octan-6-one?
The IUPAC name of 3-phenyl-3-(piperidine-1-carbonyl)-5-azaspiro[3.4]octan-6-one (CID 175852427) is 3-phenyl-3-(piperidine-1-carbonyl)-5-azaspiro[3.4]octan-6-one.
What is the SMILES notation for 3-phenyl-3-(piperidine-1-carbonyl)-5-azaspiro[3.4]octan-6-one?
The canonical SMILES for 3-phenyl-3-(piperidine-1-carbonyl)-5-azaspiro[3.4]octan-6-one is O=C1CCC2(CCC2(C(=O)N2CCCCC2)c2ccccc2)N1.
What is the InChIKey of 3-phenyl-3-(piperidine-1-carbonyl)-5-azaspiro[3.4]octan-6-one?
The InChIKey is XWUMWNOGDOERFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-16-9-10-18(20-16)11-12-19(18,15-7-3-1-4-8-15)17(23)21-13-5-2-6-14-21/h1,3-4,7-8H,2,5-6,9-14H2,(H,20,22).
What are the key properties of 3-phenyl-3-(piperidine-1-carbonyl)-5-azaspiro[3.4]octan-6-one?
3-phenyl-3-(piperidine-1-carbonyl)-5-azaspiro[3.4]octan-6-one has a molecular weight of 312.41 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-(piperidine-1-carbonyl)-5-azaspiro[3.4]octan-6-one is sourced from PubChem (CID 175852427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).