[9-[(2-fluoro-5-methoxyphenyl)methyl]-2,6-dioxa-9-azaspiro[4.5]decan-3-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone

C23H33FN2O5 — CID 155880224

IUPAC[9-[(2-fluoro-5-methoxyphenyl)methyl]-2,6-dioxa-9-azaspiro[4.5]decan-3-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(F)c(CN2CCOC3(COC(C(=O)N4CCC(C)(OC)CC4)C3)C2)c1
InChIInChI=1S/C23H33FN2O5/c1-22(29-3)6-8-26(9-7-22)21(27)20-13-23(16-30-20)15-25(10-11-31-23)14-17-12-18(28-2)4-5-19(17)24/h4-5,12,20H,6-11,13-16H2,1-3H3
InChIKeyRWMSJKHVKGSHHY-UHFFFAOYSA-N
MW436.52 g/mol
LogP2.22
Rot. Bonds5

About [9-[(2-fluoro-5-methoxyphenyl)methyl]-2,6-dioxa-9-azaspiro[4.5]decan-3-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone

[9-[(2-fluoro-5-methoxyphenyl)methyl]-2,6-dioxa-9-azaspiro[4.5]decan-3-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone (PubChem CID 155880224) has the molecular formula C23H33FN2O5 and a molecular weight of 436.52 g/mol. Its IUPAC name is [9-[(2-fluoro-5-methoxyphenyl)methyl]-2,6-dioxa-9-azaspiro[4.5]decan-3-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[9-[(2-fluoro-5-methoxyphenyl)methyl]-2,6-dioxa-9-azaspiro[4.5]decan-3-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone
PubChem CID155880224
Molecular FormulaC23H33FN2O5
Molecular Weight436.52 g/mol
Exact Mass436.24
IUPAC Name[9-[(2-fluoro-5-methoxyphenyl)methyl]-2,6-dioxa-9-azaspiro[4.5]decan-3-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(F)c(CN2CCOC3(COC(C(=O)N4CCC(C)(OC)CC4)C3)C2)c1
InChIInChI=1S/C23H33FN2O5/c1-22(29-3)6-8-26(9-7-22)21(27)20-13-23(16-30-20)15-25(10-11-31-23)14-17-12-18(28-2)4-5-19(17)24/h4-5,12,20H,6-11,13-16H2,1-3H3
InChIKeyRWMSJKHVKGSHHY-UHFFFAOYSA-N
XLogP2.22
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [9-[(2-fluoro-5-methoxyphenyl)methyl]-2,6-dioxa-9-azaspiro[4.5]decan-3-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

(5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(1-methylcyclopropanecarbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42194351
(5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[3-(1-methylcyclopropyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25297438
(5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42298060
2-(3,3-dimethylbutanoyl)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45192111
9-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 102876803
1-[9-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carbonyl]piperidine-3-carboxamide
CID 155874993
1-[4-[(3-methoxyphenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 131649622
N-[(4S,5R)-9-[(2-fluoro-5-methoxyphenyl)methyl]-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide
CID 169411248
2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-methoxyphenol
CID 82977089
(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one
CID 95219686
(5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-6-oxo-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 26412671
4-[(2-ethyl-4-methoxyphenyl)methyl]-6,6-difluoro-1,4-oxazepane
CID 126813428

Frequently Asked Questions

What is the IUPAC name of [9-[(2-fluoro-5-methoxyphenyl)methyl]-2,6-dioxa-9-azaspiro[4.5]decan-3-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of [9-[(2-fluoro-5-methoxyphenyl)methyl]-2,6-dioxa-9-azaspiro[4.5]decan-3-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone (CID 155880224) is [9-[(2-fluoro-5-methoxyphenyl)methyl]-2,6-dioxa-9-azaspiro[4.5]decan-3-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [9-[(2-fluoro-5-methoxyphenyl)methyl]-2,6-dioxa-9-azaspiro[4.5]decan-3-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [9-[(2-fluoro-5-methoxyphenyl)methyl]-2,6-dioxa-9-azaspiro[4.5]decan-3-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone is COc1ccc(F)c(CN2CCOC3(COC(C(=O)N4CCC(C)(OC)CC4)C3)C2)c1.
What is the InChIKey of [9-[(2-fluoro-5-methoxyphenyl)methyl]-2,6-dioxa-9-azaspiro[4.5]decan-3-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is RWMSJKHVKGSHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN2O5/c1-22(29-3)6-8-26(9-7-22)21(27)20-13-23(16-30-20)15-25(10-11-31-23)14-17-12-18(28-2)4-5-19(17)24/h4-5,12,20H,6-11,13-16H2,1-3H3.
What are the key properties of [9-[(2-fluoro-5-methoxyphenyl)methyl]-2,6-dioxa-9-azaspiro[4.5]decan-3-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone?
[9-[(2-fluoro-5-methoxyphenyl)methyl]-2,6-dioxa-9-azaspiro[4.5]decan-3-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 436.52 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[(2-fluoro-5-methoxyphenyl)methyl]-2,6-dioxa-9-azaspiro[4.5]decan-3-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 155880224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).