7-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C16H20N2O5 — CID 77091899

IUPAC7-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCOc1cc(CN2CCC3(C2)CN(C)C(=O)O3)cc2c1OCO2
InChIInChI=1S/C16H20N2O5/c1-17-8-16(23-15(17)19)3-4-18(9-16)7-11-5-12(20-2)14-13(6-11)21-10-22-14/h5-6H,3-4,7-10H2,1-2H3
InChIKeySYFCGPCDYVCGLK-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.45
Rot. Bonds3

About 7-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

7-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 77091899) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is 7-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name7-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID77091899
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name7-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCOc1cc(CN2CCC3(C2)CN(C)C(=O)O3)cc2c1OCO2
InChIInChI=1S/C16H20N2O5/c1-17-8-16(23-15(17)19)3-4-18(9-16)7-11-5-12(20-2)14-13(6-11)21-10-22-14/h5-6H,3-4,7-10H2,1-2H3
InChIKeySYFCGPCDYVCGLK-UHFFFAOYSA-N
XLogP1.45
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-7-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95897451
9-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56912030
8-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72923481
1-[(4-chlorophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine
CID 1352847
(3aS,7aR)-2-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-5-methyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-3a-carboxylic acid
CID 70756843
7-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 77081415
(5S)-3-methyl-7-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95869955
1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 1161062
(5R)-7-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95882510
1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine
CID 117315797
(2S)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-methyl-1,4-oxazepane
CID 99930964
(3aR,7aR)-2-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid
CID 154807431

Frequently Asked Questions

What is the IUPAC name of 7-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 7-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 77091899) is 7-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 7-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 7-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is COc1cc(CN2CCC3(C2)CN(C)C(=O)O3)cc2c1OCO2.
What is the InChIKey of 7-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is SYFCGPCDYVCGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-17-8-16(23-15(17)19)3-4-18(9-16)7-11-5-12(20-2)14-13(6-11)21-10-22-14/h5-6H,3-4,7-10H2,1-2H3.
What are the key properties of 7-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
7-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 320.35 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 77091899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).