3-(2-phenylethyl)-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C20H29N3O2 — CID 70768119

IUPAC3-(2-phenylethyl)-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCN(C3CCCNC3)CC2)CN1CCc1ccccc1
InChIInChI=1S/C20H29N3O2/c24-19-23(12-8-17-5-2-1-3-6-17)16-20(25-19)9-13-22(14-10-20)18-7-4-11-21-15-18/h1-3,5-6,18,21H,4,7-16H2
InChIKeyMFUMJRVVVKELPE-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.27
Rot. Bonds4

About 3-(2-phenylethyl)-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-(2-phenylethyl)-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70768119) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 3-(2-phenylethyl)-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(2-phenylethyl)-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70768119
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name3-(2-phenylethyl)-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCN(C3CCCNC3)CC2)CN1CCc1ccccc1
InChIInChI=1S/C20H29N3O2/c24-19-23(12-8-17-5-2-1-3-6-17)16-20(25-19)9-13-22(14-10-20)18-7-4-11-21-15-18/h1-3,5-6,18,21H,4,7-16H2
InChIKeyMFUMJRVVVKELPE-UHFFFAOYSA-N
XLogP2.27
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-[(3R)-piperidin-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 95874686
3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-[(3S)-piperidin-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 95874687
3-[3-[cyclohexyl(methyl)amino]propyl]-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70777554
3-(2-phenylethyl)-8-[(2S)-pyrrolidine-2-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70730575
3-[2-[methyl(2-phenylethyl)amino]ethyl]-8-[(3S)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 95860803
8-(2-hydroxybenzoyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70717698
3-benzyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 77058995
3-[2-oxo-2-[2-oxo-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]ethyl]imidazolidine-2,4-dione
CID 70746629
8-[1-(methoxymethyl)cyclobutanecarbonyl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70705402
8-(5-methyl-1H-imidazole-4-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70709591
(5S)-7-(4-benzyloxane-4-carbonyl)-3-(2-phenylethyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125008158
3-(3-methylbutyl)-8-(piperidin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride
CID 154895297

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-(2-phenylethyl)-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70768119) is 3-(2-phenylethyl)-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(2-phenylethyl)-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(2-phenylethyl)-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1OC2(CCN(C3CCCNC3)CC2)CN1CCc1ccccc1.
What is the InChIKey of 3-(2-phenylethyl)-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is MFUMJRVVVKELPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-19-23(12-8-17-5-2-1-3-6-17)16-20(25-19)9-13-22(14-10-20)18-7-4-11-21-15-18/h1-3,5-6,18,21H,4,7-16H2.
What are the key properties of 3-(2-phenylethyl)-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-(2-phenylethyl)-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 343.47 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70768119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).