[8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]-(2-methoxyphenyl)methanone

C25H30FN3O3 — CID 118562285

IUPAC[8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CC2(CCN(CCc3ncccc3F)CC2)OC2(CC2)C1
InChIInChI=1S/C25H30FN3O3/c1-31-22-7-3-2-5-19(22)23(30)29-17-24(9-10-24)32-25(18-29)11-15-28(16-12-25)14-8-21-20(26)6-4-13-27-21/h2-7,13H,8-12,14-18H2,1H3
InChIKeyKILWCGIYUCYSHH-UHFFFAOYSA-N
MW439.53 g/mol
LogP3.31
Rot. Bonds5

About [8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]-(2-methoxyphenyl)methanone

[8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]-(2-methoxyphenyl)methanone (PubChem CID 118562285) has the molecular formula C25H30FN3O3 and a molecular weight of 439.53 g/mol. Its IUPAC name is [8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]-(2-methoxyphenyl)methanone
PubChem CID118562285
Molecular FormulaC25H30FN3O3
Molecular Weight439.53 g/mol
Exact Mass439.23
IUPAC Name[8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CC2(CCN(CCc3ncccc3F)CC2)OC2(CC2)C1
InChIInChI=1S/C25H30FN3O3/c1-31-22-7-3-2-5-19(22)23(30)29-17-24(9-10-24)32-25(18-29)11-15-28(16-12-25)14-8-21-20(26)6-4-13-27-21/h2-7,13H,8-12,14-18H2,1H3
InChIKeyKILWCGIYUCYSHH-UHFFFAOYSA-N
XLogP3.31
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]-(2-methoxyphenyl)methanone with MolForge

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Related Compounds

(2-fluorophenyl)-[8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]methanone;1-[9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]propan-1-one
CID 118562460
(2-fluorophenyl)-[9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone;methane
CID 159118723
(2-fluorophenyl)-[8-[2-(6-methoxy-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]methanone
CID 118562219
(2,4-difluorophenyl)-[9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 118562297
methyl 3-[12-(2,6-difluorobenzoyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-8-yl]propanoate
CID 118562324
(2-methoxyphenyl)-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone
CID 53145405
12-benzyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane
CID 155632222
9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 135374678
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 86977364
[9-[2-(3-chloro-2-pyridinyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-phenylmethanone
CID 118562225
(2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 6422948
[2-(dimethylamino)-3-pyridinyl]-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 110411350

Frequently Asked Questions

What is the IUPAC name of [8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]-(2-methoxyphenyl)methanone (CID 118562285) is [8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CC2(CCN(CCc3ncccc3F)CC2)OC2(CC2)C1.
What is the InChIKey of [8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]-(2-methoxyphenyl)methanone?
The InChIKey is KILWCGIYUCYSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O3/c1-31-22-7-3-2-5-19(22)23(30)29-17-24(9-10-24)32-25(18-29)11-15-28(16-12-25)14-8-21-20(26)6-4-13-27-21/h2-7,13H,8-12,14-18H2,1H3.
What are the key properties of [8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]-(2-methoxyphenyl)methanone?
[8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]-(2-methoxyphenyl)methanone has a molecular weight of 439.53 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 118562285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).