3-(2-phenylethyl)-8-[(2S)-pyrrolidine-2-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C20H27N3O3 — CID 70730575

IUPAC3-(2-phenylethyl)-8-[(2S)-pyrrolidine-2-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCN(C(=O)[C@@H]3CCCN3)CC2)CN1CCc1ccccc1
InChIInChI=1S/C20H27N3O3/c24-18(17-7-4-11-21-17)22-13-9-20(10-14-22)15-23(19(25)26-20)12-8-16-5-2-1-3-6-16/h1-3,5-6,17,21H,4,7-15H2/t17-/m0/s1
InChIKeyPPXKNLYBQOOCBP-KRWDZBQOSA-N
MW357.45 g/mol
LogP1.79
Rot. Bonds4

About 3-(2-phenylethyl)-8-[(2S)-pyrrolidine-2-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-(2-phenylethyl)-8-[(2S)-pyrrolidine-2-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70730575) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3-(2-phenylethyl)-8-[(2S)-pyrrolidine-2-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(2-phenylethyl)-8-[(2S)-pyrrolidine-2-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70730575
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name3-(2-phenylethyl)-8-[(2S)-pyrrolidine-2-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCN(C(=O)[C@@H]3CCCN3)CC2)CN1CCc1ccccc1
InChIInChI=1S/C20H27N3O3/c24-18(17-7-4-11-21-17)22-13-9-20(10-14-22)15-23(19(25)26-20)12-8-16-5-2-1-3-6-16/h1-3,5-6,17,21H,4,7-15H2/t17-/m0/s1
InChIKeyPPXKNLYBQOOCBP-KRWDZBQOSA-N
XLogP1.79
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2-hydroxybenzoyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70717698
3-(2-phenylethyl)-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70768119
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-(6-methylpyridine-3-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70729484
8-(6-aminopyridine-3-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70726064
[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone
CID 119339735
3-phenyl-1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 119306810
8-(5-methyl-1H-imidazole-4-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70709591
3-[2-[methyl(2-phenylethyl)amino]ethyl]-8-(1H-pyrrole-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70711147
(5S)-7-(4-benzyloxane-4-carbonyl)-3-(2-phenylethyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125008158
8-[(2S)-pyrrolidine-2-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride
CID 154923032

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)-8-[(2S)-pyrrolidine-2-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-(2-phenylethyl)-8-[(2S)-pyrrolidine-2-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70730575) is 3-(2-phenylethyl)-8-[(2S)-pyrrolidine-2-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(2-phenylethyl)-8-[(2S)-pyrrolidine-2-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(2-phenylethyl)-8-[(2S)-pyrrolidine-2-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1OC2(CCN(C(=O)[C@@H]3CCCN3)CC2)CN1CCc1ccccc1.
What is the InChIKey of 3-(2-phenylethyl)-8-[(2S)-pyrrolidine-2-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is PPXKNLYBQOOCBP-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N3O3/c24-18(17-7-4-11-21-17)22-13-9-20(10-14-22)15-23(19(25)26-20)12-8-16-5-2-1-3-6-16/h1-3,5-6,17,21H,4,7-15H2/t17-/m0/s1.
What are the key properties of 3-(2-phenylethyl)-8-[(2S)-pyrrolidine-2-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-(2-phenylethyl)-8-[(2S)-pyrrolidine-2-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 357.45 g/mol, XLogP of 1.79, 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-[(2S)-pyrrolidine-2-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70730575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).