[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1-phenylcyclopropyl)methanone

C20H27NO3 — CID 91915827

IUPAC[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1-phenylcyclopropyl)methanone
SMILESCOCC1CN(C(=O)C2(c3ccccc3)CC2)CC12CCOCC2
InChIInChI=1S/C20H27NO3/c1-23-14-17-13-21(15-19(17)9-11-24-12-10-19)18(22)20(7-8-20)16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3
InChIKeyJEKUBHHJBHICNV-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.62
Rot. Bonds4

About [4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1-phenylcyclopropyl)methanone

[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1-phenylcyclopropyl)methanone (PubChem CID 91915827) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is [4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1-phenylcyclopropyl)methanone
PubChem CID91915827
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1-phenylcyclopropyl)methanone
SMILESCOCC1CN(C(=O)C2(c3ccccc3)CC2)CC12CCOCC2
InChIInChI=1S/C20H27NO3/c1-23-14-17-13-21(15-19(17)9-11-24-12-10-19)18(22)20(7-8-20)16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3
InChIKeyJEKUBHHJBHICNV-UHFFFAOYSA-N
XLogP2.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1-phenylcyclopropyl)methanone
CID 91924656
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 71927745
4-(methoxymethyl)-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 91922025
(4-phenyloxan-4-yl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone
CID 138002316
(2R)-N,N,1-trimethyl-4-(4-phenyloxane-4-carbonyl)piperazine-2-carboxamide
CID 124949534
1-(4-phenyloxane-4-carbonyl)piperidine-3-carboxylic acid
CID 119128018
[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 100757035
1-[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-phenoxyethanone
CID 97418516
methyl 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-3-carboxylate
CID 78968034
1-[(4S)-4-(methoxymethyl)-8-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 124802038
[(3aR,4R,7aS)-4-[(4-methoxyphenyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(4-phenyloxan-4-yl)methanone
CID 110149302
1-[(5R,9S)-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-2-phenylethanone
CID 97484939

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1-phenylcyclopropyl)methanone?
The IUPAC name of [4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1-phenylcyclopropyl)methanone (CID 91915827) is [4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for [4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1-phenylcyclopropyl)methanone?
The canonical SMILES for [4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1-phenylcyclopropyl)methanone is COCC1CN(C(=O)C2(c3ccccc3)CC2)CC12CCOCC2.
What is the InChIKey of [4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1-phenylcyclopropyl)methanone?
The InChIKey is JEKUBHHJBHICNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-23-14-17-13-21(15-19(17)9-11-24-12-10-19)18(22)20(7-8-20)16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3.
What are the key properties of [4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1-phenylcyclopropyl)methanone?
[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1-phenylcyclopropyl)methanone has a molecular weight of 329.44 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 91915827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).