1-methyl-4-[(3-methyl-1-benzofuran-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane

C19H26N2O2 — CID 138809629

IUPAC1-methyl-4-[(3-methyl-1-benzofuran-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane
SMILESCc1c(CN2CCN(C)C3(CCOCC3)C2)oc2ccccc12
InChIInChI=1S/C19H26N2O2/c1-15-16-5-3-4-6-17(16)23-18(15)13-21-10-9-20(2)19(14-21)7-11-22-12-8-19/h3-6H,7-14H2,1-2H3
InChIKeyZCOPSHIDONWYFW-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.04
Rot. Bonds2

About 1-methyl-4-[(3-methyl-1-benzofuran-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane

1-methyl-4-[(3-methyl-1-benzofuran-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane (PubChem CID 138809629) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-methyl-4-[(3-methyl-1-benzofuran-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-methyl-4-[(3-methyl-1-benzofuran-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane
PubChem CID138809629
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-methyl-4-[(3-methyl-1-benzofuran-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane
SMILESCc1c(CN2CCN(C)C3(CCOCC3)C2)oc2ccccc12
InChIInChI=1S/C19H26N2O2/c1-15-16-5-3-4-6-17(16)23-18(15)13-21-10-9-20(2)19(14-21)7-11-22-12-8-19/h3-6H,7-14H2,1-2H3
InChIKeyZCOPSHIDONWYFW-UHFFFAOYSA-N
XLogP3.04
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

(6S)-10-ethyl-1-methyl-4-[(3-methyl-1-benzofuran-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97155674
1-[1-[(3-methyl-1-benzofuran-2-yl)methyl]azetidin-3-yl]piperidine
CID 77083392
9-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 72897769
N-[[1-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide
CID 56747250
1-methyl-4-[(4-pyridin-3-ylphenyl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane
CID 138806682
11-(dibenzofuran-4-ylmethyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
CID 56754580
(4R)-8-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 124854223
1-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane
CID 138810125
4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane
CID 139598716
2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-carboxylic acid
CID 103356642
2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylic acid
CID 62273770
3-[(3-methyl-1-benzofuran-2-yl)methyl]-9-(1-methylimidazol-2-yl)-3-azabicyclo[3.3.1]nonan-9-ol
CID 46967614

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3-methyl-1-benzofuran-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-methyl-4-[(3-methyl-1-benzofuran-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane (CID 138809629) is 1-methyl-4-[(3-methyl-1-benzofuran-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-methyl-4-[(3-methyl-1-benzofuran-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-methyl-4-[(3-methyl-1-benzofuran-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane is Cc1c(CN2CCN(C)C3(CCOCC3)C2)oc2ccccc12.
What is the InChIKey of 1-methyl-4-[(3-methyl-1-benzofuran-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane?
The InChIKey is ZCOPSHIDONWYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-15-16-5-3-4-6-17(16)23-18(15)13-21-10-9-20(2)19(14-21)7-11-22-12-8-19/h3-6H,7-14H2,1-2H3.
What are the key properties of 1-methyl-4-[(3-methyl-1-benzofuran-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane?
1-methyl-4-[(3-methyl-1-benzofuran-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane has a molecular weight of 314.43 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3-methyl-1-benzofuran-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 138809629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).