[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone

C18H22N2O4 — CID 95721471

IUPAC[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone
SMILESCc1cc2cccc(C(=O)N3CCO[C@]4(CNCCOC4)C3)c2o1
InChIInChI=1S/C18H22N2O4/c1-13-9-14-3-2-4-15(16(14)24-13)17(21)20-6-8-23-18(11-20)10-19-5-7-22-12-18/h2-4,9,19H,5-8,10-12H2,1H3/t18-/m1/s1
InChIKeyLQEXCDSYPOWYHP-GOSISDBHSA-N
MW330.38 g/mol
LogP1.57
Rot. Bonds1

About [(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone

[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone (PubChem CID 95721471) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is [(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone.

Molecular Properties

Compound Name[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone
PubChem CID95721471
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone
SMILESCc1cc2cccc(C(=O)N3CCO[C@]4(CNCCOC4)C3)c2o1
InChIInChI=1S/C18H22N2O4/c1-13-9-14-3-2-4-15(16(14)24-13)17(21)20-6-8-23-18(11-20)10-19-5-7-22-12-18/h2-4,9,19H,5-8,10-12H2,1H3/t18-/m1/s1
InChIKeyLQEXCDSYPOWYHP-GOSISDBHSA-N
XLogP1.57
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl-(2-methyl-1-benzofuran-7-yl)methanone
CID 56896829
(3-chloro-2-fluorophenyl)-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 95726443
(2,6-dimethoxy-3-pyridinyl)-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 95729959
(2-chloro-5-pyrazol-1-ylphenyl)-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 95728254
[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1,3,7-trimethylindol-2-yl)methanone
CID 95707901
[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
CID 95718325
2-(benzotriazol-2-yl)-1-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone
CID 95722302
1-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methylpropan-1-one
CID 97494594
N-[3-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-3-oxopropyl]-2-fluorobenzamide
CID 95728332
2,6-dioxa-9-azaspiro[4.5]decan-9-yl(1H-indazol-7-yl)methanone
CID 127893301
1-[2-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]quinolin-4-one
CID 95706811
1-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-(2-methoxyphenoxy)-2-methylpropan-1-one
CID 56882429

Frequently Asked Questions

What is the IUPAC name of [(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone?
The IUPAC name of [(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone (CID 95721471) is [(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone.
What is the SMILES notation for [(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone?
The canonical SMILES for [(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone is Cc1cc2cccc(C(=O)N3CCO[C@]4(CNCCOC4)C3)c2o1.
What is the InChIKey of [(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone?
The InChIKey is LQEXCDSYPOWYHP-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-13-9-14-3-2-4-15(16(14)24-13)17(21)20-6-8-23-18(11-20)10-19-5-7-22-12-18/h2-4,9,19H,5-8,10-12H2,1H3/t18-/m1/s1.
What are the key properties of [(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone?
[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone has a molecular weight of 330.38 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone is sourced from PubChem (CID 95721471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).