N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2,4-dimethoxybenzamide

C25H29FN2O5 — CID 45173149

IUPACN-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCC3(CCN(C(=O)c4ccc(F)cc4)CC3)O2)c(OC)c1
InChIInChI=1S/C25H29FN2O5/c1-31-19-7-8-21(22(15-19)32-2)23(29)27-16-20-9-10-25(33-20)11-13-28(14-12-25)24(30)17-3-5-18(26)6-4-17/h3-8,15,20H,9-14,16H2,1-2H3,(H,27,29)
InChIKeyUBMYZSNKOPJGSW-UHFFFAOYSA-N
MW456.51 g/mol
LogP3.43
Rot. Bonds6

About N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2,4-dimethoxybenzamide

N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2,4-dimethoxybenzamide (PubChem CID 45173149) has the molecular formula C25H29FN2O5 and a molecular weight of 456.51 g/mol. Its IUPAC name is N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2,4-dimethoxybenzamide
PubChem CID45173149
Molecular FormulaC25H29FN2O5
Molecular Weight456.51 g/mol
Exact Mass456.21
IUPAC NameN-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCC3(CCN(C(=O)c4ccc(F)cc4)CC3)O2)c(OC)c1
InChIInChI=1S/C25H29FN2O5/c1-31-19-7-8-21(22(15-19)32-2)23(29)27-16-20-9-10-25(33-20)11-13-28(14-12-25)24(30)17-3-5-18(26)6-4-17/h3-8,15,20H,9-14,16H2,1-2H3,(H,27,29)
InChIKeyUBMYZSNKOPJGSW-UHFFFAOYSA-N
XLogP3.43
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-methoxy-N-[[8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 126467613
5-ethyl-N-[[(2R)-8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 42211888
1-(4-fluorobenzoyl)-N-(5-oxaspiro[3.4]octan-6-ylmethyl)piperidine-4-carboxamide
CID 167754057
N-[[(2S)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dimethylbenzamide
CID 42237886
2-(dimethylamino)-N-[[8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 56852446
[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 46906356
N-[[8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylbenzamide
CID 45182506
N-[[(2S)-8-[3-(4-fluorophenyl)benzoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide
CID 42540053
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-2,3,4-trifluorobenzamide
CID 108935387
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-4-methylpiperidine-4-carboxamide
CID 52999128
1-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-4-carboxamide
CID 52999112

Frequently Asked Questions

What is the IUPAC name of N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2,4-dimethoxybenzamide (CID 45173149) is N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)NCC2CCC3(CCN(C(=O)c4ccc(F)cc4)CC3)O2)c(OC)c1.
What is the InChIKey of N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2,4-dimethoxybenzamide?
The InChIKey is UBMYZSNKOPJGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O5/c1-31-19-7-8-21(22(15-19)32-2)23(29)27-16-20-9-10-25(33-20)11-13-28(14-12-25)24(30)17-3-5-18(26)6-4-17/h3-8,15,20H,9-14,16H2,1-2H3,(H,27,29).
What are the key properties of N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2,4-dimethoxybenzamide?
N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2,4-dimethoxybenzamide has a molecular weight of 456.51 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 45173149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).