3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-2H-naphthalen-1-one

C18H21NO4 — CID 110677758

IUPAC3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CC(C(=O)N2CCC3(CC2)OCCO3)Cc2ccccc21
InChIInChI=1S/C18H21NO4/c20-16-12-14(11-13-3-1-2-4-15(13)16)17(21)19-7-5-18(6-8-19)22-9-10-23-18/h1-4,14H,5-12H2
InChIKeySBRYLCLLMXSZQK-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.80
Rot. Bonds1

About 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-2H-naphthalen-1-one

3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 110677758) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID110677758
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CC(C(=O)N2CCC3(CC2)OCCO3)Cc2ccccc21
InChIInChI=1S/C18H21NO4/c20-16-12-14(11-13-3-1-2-4-15(13)16)17(21)19-7-5-18(6-8-19)22-9-10-23-18/h1-4,14H,5-12H2
InChIKeySBRYLCLLMXSZQK-UHFFFAOYSA-N
XLogP1.80
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-2H-naphthalen-1-one with MolForge

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Related Compounds

3-(3-methylpiperidine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one
CID 110677782
3-(4-pyridin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one
CID 110677769
(4S)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 35436216
2,3-dihydro-1H-inden-2-yl-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 126430965
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(5S)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 1302315
(1-benzoyl-2,3-dihydroindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 20954567
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one
CID 113185301
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(9H-xanthen-9-yl)methanone
CID 1246532
4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate
CID 22074447
2-benzyl-1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,4-dihydroisoquinolin-3-one
CID 53147686
(3R)-3-(1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-3,4-dihydro-2H-isoquinolin-1-one
CID 126440790
6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one
CID 91631766

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-2H-naphthalen-1-one (CID 110677758) is 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-2H-naphthalen-1-one is O=C1CC(C(=O)N2CCC3(CC2)OCCO3)Cc2ccccc21.
What is the InChIKey of 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is SBRYLCLLMXSZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c20-16-12-14(11-13-3-1-2-4-15(13)16)17(21)19-7-5-18(6-8-19)22-9-10-23-18/h1-4,14H,5-12H2.
What are the key properties of 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-2H-naphthalen-1-one?
3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 315.37 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 110677758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).