4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane

C20H28N2O3 — CID 139598716

IUPAC4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane
SMILESCOc1ccc2c(c1)C=C(CN1CCN(C)C3(CCOCC3)C1)CO2
InChIInChI=1S/C20H28N2O3/c1-21-7-8-22(15-20(21)5-9-24-10-6-20)13-16-11-17-12-18(23-2)3-4-19(17)25-14-16/h3-4,11-12H,5-10,13-15H2,1-2H3
InChIKeyLLXOIAPWVVPLIX-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.27
Rot. Bonds3

About 4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane

4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane (PubChem CID 139598716) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane
PubChem CID139598716
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane
SMILESCOc1ccc2c(c1)C=C(CN1CCN(C)C3(CCOCC3)C1)CO2
InChIInChI=1S/C20H28N2O3/c1-21-7-8-22(15-20(21)5-9-24-10-6-20)13-16-11-17-12-18(23-2)3-4-19(17)25-14-16/h3-4,11-12H,5-10,13-15H2,1-2H3
InChIKeyLLXOIAPWVVPLIX-UHFFFAOYSA-N
XLogP2.27
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane with MolForge

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Related Compounds

4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72915228
(3R,4S)-3-ethyl-1-[(6-methoxy-2H-chromen-3-yl)methyl]-4-methylpiperidin-4-ol
CID 133120080
[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 25306756
3-chloro-6-[4-[(6-methoxy-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine
CID 50980464
2-[(2R)-4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 98677545
ethyl 1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate
CID 45212947
(3aR,5R,6R,7aS)-2-[(6-methoxy-2H-chromen-3-yl)methyl]-6-(4-methylpiperazin-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172657224
(R)-[1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 99932443
2-[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine
CID 92615747
4-[(6-methoxy-2H-chromen-3-yl)methyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]morpholine
CID 132778350
N-(1,5-dimethylpyrazol-3-yl)-6-[4-[(6-methoxy-2H-chromen-3-yl)methyl]morpholin-2-yl]pyridin-2-amine
CID 127249768
N-(1,5-dimethylpyrazol-3-yl)-6-[(2R)-4-[(6-methoxy-2H-chromen-3-yl)methyl]morpholin-2-yl]pyridin-2-amine
CID 124975870

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane (CID 139598716) is 4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane is COc1ccc2c(c1)C=C(CN1CCN(C)C3(CCOCC3)C1)CO2.
What is the InChIKey of 4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane?
The InChIKey is LLXOIAPWVVPLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-21-7-8-22(15-20(21)5-9-24-10-6-20)13-16-11-17-12-18(23-2)3-4-19(17)25-14-16/h3-4,11-12H,5-10,13-15H2,1-2H3.
What are the key properties of 4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane?
4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane has a molecular weight of 344.45 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 139598716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).