1,3-benzodioxol-5-yl-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

C18H23NO5 — CID 97186942

IUPAC1,3-benzodioxol-5-yl-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESCO[C@@H]1CCCOC12CCN(C(=O)c1ccc3c(c1)OCO3)CC2
InChIInChI=1S/C18H23NO5/c1-21-16-3-2-10-24-18(16)6-8-19(9-7-18)17(20)13-4-5-14-15(11-13)23-12-22-14/h4-5,11,16H,2-3,6-10,12H2,1H3/t16-/m1/s1
InChIKeyNWLBILDUGCKGBT-MRXNPFEDSA-N
MW333.38 g/mol
LogP2.22
Rot. Bonds2

About 1,3-benzodioxol-5-yl-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

1,3-benzodioxol-5-yl-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (PubChem CID 97186942) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
PubChem CID97186942
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name1,3-benzodioxol-5-yl-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESCO[C@@H]1CCCOC12CCN(C(=O)c1ccc3c(c1)OCO3)CC2
InChIInChI=1S/C18H23NO5/c1-21-16-3-2-10-24-18(16)6-8-19(9-7-18)17(20)13-4-5-14-15(11-13)23-12-22-14/h4-5,11,16H,2-3,6-10,12H2,1H3/t16-/m1/s1
InChIKeyNWLBILDUGCKGBT-MRXNPFEDSA-N
XLogP2.22
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 133142534
[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone
CID 97186590
(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
CID 74244805
1,3-benzodioxol-5-yl-[(2R)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97475319
1,3-benzodioxol-5-yl-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406160
[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methoxy-3-prop-2-enylphenyl)methanone
CID 97142111
[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methoxy-3-prop-2-enylphenyl)methanone
CID 97142112
(6-imidazol-1-yl-3-pyridinyl)-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124963732
2,3-dihydro-1,4-benzodioxin-6-yl-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 166624334
1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 110473360
1,3-benzodioxol-5-yl-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108543812
1,3-benzodioxol-5-yl-(4-methylazepan-1-yl)methanone
CID 84582371

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (CID 97186942) is 1,3-benzodioxol-5-yl-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is CO[C@@H]1CCCOC12CCN(C(=O)c1ccc3c(c1)OCO3)CC2.
What is the InChIKey of 1,3-benzodioxol-5-yl-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is NWLBILDUGCKGBT-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23NO5/c1-21-16-3-2-10-24-18(16)6-8-19(9-7-18)17(20)13-4-5-14-15(11-13)23-12-22-14/h4-5,11,16H,2-3,6-10,12H2,1H3/t16-/m1/s1.
What are the key properties of 1,3-benzodioxol-5-yl-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
1,3-benzodioxol-5-yl-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 333.38 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 97186942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).