1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-naphthalen-1-ylcyclopropyl)methanone

C21H23NO3 — CID 71878166

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-naphthalen-1-ylcyclopropyl)methanone
SMILESO=C(C1CC1c1cccc2ccccc12)N1CCC2(CC1)OCCO2
InChIInChI=1S/C21H23NO3/c23-20(22-10-8-21(9-11-22)24-12-13-25-21)19-14-18(19)17-7-3-5-15-4-1-2-6-16(15)17/h1-7,18-19H,8-14H2
InChIKeyHHOLGGJPGXVOEV-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.31
Rot. Bonds2

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-naphthalen-1-ylcyclopropyl)methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-naphthalen-1-ylcyclopropyl)methanone (PubChem CID 71878166) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-naphthalen-1-ylcyclopropyl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-naphthalen-1-ylcyclopropyl)methanone
PubChem CID71878166
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-naphthalen-1-ylcyclopropyl)methanone
SMILESO=C(C1CC1c1cccc2ccccc12)N1CCC2(CC1)OCCO2
InChIInChI=1S/C21H23NO3/c23-20(22-10-8-21(9-11-22)24-12-13-25-21)19-14-18(19)17-7-3-5-15-4-1-2-6-16(15)17/h1-7,18-19H,8-14H2
InChIKeyHHOLGGJPGXVOEV-UHFFFAOYSA-N
XLogP3.31
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(1S,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 97025073
1-[4-[(1S,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]-1,4-diazepan-1-yl]ethanone
CID 97093023
(4-methyl-1,4-diazepan-1-yl)-[(1R,2R)-2-naphthalen-1-ylcyclopropyl]methanone
CID 166287115
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(9H-xanthen-9-yl)methanone
CID 1246532
cis-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl] (1S,2R)-2-(2-fluorophenyl)cyclopropane-1-carboxylate
CID 97014118
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone
CID 46568763
N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropane-1-carboxamide
CID 109138754
2-benzyl-1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,4-dihydroisoquinolin-3-one
CID 53147686
3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-2H-naphthalen-1-one
CID 110677758
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-methyl-3-(1-methylindol-3-yl)-3,4-dihydroisoquinolin-1-one
CID 71169040
4-hydroxy-1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 119251554
[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 20929909

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-naphthalen-1-ylcyclopropyl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-naphthalen-1-ylcyclopropyl)methanone (CID 71878166) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-naphthalen-1-ylcyclopropyl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-naphthalen-1-ylcyclopropyl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-naphthalen-1-ylcyclopropyl)methanone is O=C(C1CC1c1cccc2ccccc12)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-naphthalen-1-ylcyclopropyl)methanone?
The InChIKey is HHOLGGJPGXVOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c23-20(22-10-8-21(9-11-22)24-12-13-25-21)19-14-18(19)17-7-3-5-15-4-1-2-6-16(15)17/h1-7,18-19H,8-14H2.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-naphthalen-1-ylcyclopropyl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-naphthalen-1-ylcyclopropyl)methanone has a molecular weight of 337.42 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-naphthalen-1-ylcyclopropyl)methanone is sourced from PubChem (CID 71878166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).