8-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one

C20H28N2O3 — CID 70737100

IUPAC8-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCOc1cccc(C2(CN3CCC4(CC3)CNC(=O)C4)CCOC2)c1
InChIInChI=1S/C20H28N2O3/c1-24-17-4-2-3-16(11-17)20(7-10-25-15-20)14-22-8-5-19(6-9-22)12-18(23)21-13-19/h2-4,11H,5-10,12-15H2,1H3,(H,21,23)
InChIKeyQHCSLPMLDSTIKV-UHFFFAOYSA-N
MW344.45 g/mol
LogP1.96
Rot. Bonds4

About 8-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one

8-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70737100) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 8-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70737100
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name8-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCOc1cccc(C2(CN3CCC4(CC3)CNC(=O)C4)CCOC2)c1
InChIInChI=1S/C20H28N2O3/c1-24-17-4-2-3-16(11-17)20(7-10-25-15-20)14-22-8-5-19(6-9-22)12-18(23)21-13-19/h2-4,11H,5-10,12-15H2,1H3,(H,21,23)
InChIKeyQHCSLPMLDSTIKV-UHFFFAOYSA-N
XLogP1.96
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]piperazin-1-yl]-phenylmethanone
CID 46988116
[4-(3-methoxyphenyl)oxan-4-yl]methanamine
CID 61264029
2-methyl-8-[[(3R)-3-phenyloxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decane
CID 99928933
N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62594249
4-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,4-oxazepane
CID 45239153
7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane
CID 97374489
N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 62595549
[5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008436
(3S)-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 11264195
1-[(3-phenyloxolan-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
CID 77088633
2-amino-3-[4-(3-methoxyphenyl)oxan-4-yl]propan-1-ol;hydrochloride
CID 170893568
4-(3-methoxyphenyl)-4-methylimidazolidin-2-one
CID 105458750

Frequently Asked Questions

What is the IUPAC name of 8-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one (CID 70737100) is 8-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one is COc1cccc(C2(CN3CCC4(CC3)CNC(=O)C4)CCOC2)c1.
What is the InChIKey of 8-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is QHCSLPMLDSTIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-24-17-4-2-3-16(11-17)20(7-10-25-15-20)14-22-8-5-19(6-9-22)12-18(23)21-13-19/h2-4,11H,5-10,12-15H2,1H3,(H,21,23).
What are the key properties of 8-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
8-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 344.45 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70737100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).