naphthalen-1-yl(1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone

C18H18N2O2 — CID 67393097

IUPACnaphthalen-1-yl(1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone
SMILESO=C(c1cccc2ccccc12)N1CCC2(CC=NO2)CC1
InChIInChI=1S/C18H18N2O2/c21-17(16-7-3-5-14-4-1-2-6-15(14)16)20-12-9-18(10-13-20)8-11-19-22-18/h1-7,11H,8-10,12-13H2
InChIKeyTXGCSSQCSIQETI-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.22
Rot. Bonds1

About naphthalen-1-yl(1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone

naphthalen-1-yl(1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone (PubChem CID 67393097) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is naphthalen-1-yl(1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone.

Molecular Properties

Compound Namenaphthalen-1-yl(1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone
PubChem CID67393097
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Namenaphthalen-1-yl(1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone
SMILESO=C(c1cccc2ccccc12)N1CCC2(CC=NO2)CC1
InChIInChI=1S/C18H18N2O2/c21-17(16-7-3-5-14-4-1-2-6-15(14)16)20-12-9-18(10-13-20)8-11-19-22-18/h1-7,11H,8-10,12-13H2
InChIKeyTXGCSSQCSIQETI-UHFFFAOYSA-N
XLogP3.22
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid
CID 119250762
[4-methyl-4-(methylamino)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 115304562
8-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 67393326
[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 42191937
(3-hydroxy-3-methylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
CID 103726762
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
6-chloro-1'-(naphthalene-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758396
2,2-difluoro-2-[4-hydroxy-1-(naphthalene-1-carbonyl)piperidin-4-yl]acetic acid
CID 138014409
2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
CID 108569251
naphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31565762
1,4-diazepan-1-yl(naphthalen-1-yl)methanone
CID 18933042
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 2169062

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl(1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone?
The IUPAC name of naphthalen-1-yl(1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone (CID 67393097) is naphthalen-1-yl(1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone.
What is the SMILES notation for naphthalen-1-yl(1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone?
The canonical SMILES for naphthalen-1-yl(1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone is O=C(c1cccc2ccccc12)N1CCC2(CC=NO2)CC1.
What is the InChIKey of naphthalen-1-yl(1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone?
The InChIKey is TXGCSSQCSIQETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-17(16-7-3-5-14-4-1-2-6-15(14)16)20-12-9-18(10-13-20)8-11-19-22-18/h1-7,11H,8-10,12-13H2.
What are the key properties of naphthalen-1-yl(1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone?
naphthalen-1-yl(1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone has a molecular weight of 294.35 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl(1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone is sourced from PubChem (CID 67393097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).