1-[4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide

C22H28FN3O4 — CID 46110785

IUPAC1-[4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2COC3(CCCCC3)N2C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C22H28FN3O4/c23-17-6-4-5-16(13-17)20(28)26-18(14-30-22(26)9-2-1-3-10-22)21(29)25-11-7-15(8-12-25)19(24)27/h4-6,13,15,18H,1-3,7-12,14H2,(H2,24,27)
InChIKeyZHVYVZFXFXQJMG-UHFFFAOYSA-N
MW417.48 g/mol
LogP2.05
Rot. Bonds3

About 1-[4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide

1-[4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide (PubChem CID 46110785) has the molecular formula C22H28FN3O4 and a molecular weight of 417.48 g/mol. Its IUPAC name is 1-[4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide
PubChem CID46110785
Molecular FormulaC22H28FN3O4
Molecular Weight417.48 g/mol
Exact Mass417.21
IUPAC Name1-[4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2COC3(CCCCC3)N2C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C22H28FN3O4/c23-17-6-4-5-16(13-17)20(28)26-18(14-30-22(26)9-2-1-3-10-22)21(29)25-11-7-15(8-12-25)19(24)27/h4-6,13,15,18H,1-3,7-12,14H2,(H2,24,27)
InChIKeyZHVYVZFXFXQJMG-UHFFFAOYSA-N
XLogP2.05
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide with MolForge

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Related Compounds

4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 75360256
1-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide
CID 93019327
1-[4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide
CID 46110821
(3S)-4-(3-fluorobenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95658043
ethyl (3S)-1-[(3S)-4-(3,5-difluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-3-carboxylate
CID 93136569
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-fluorobenzoyl)piperidin-4-yl]methanone
CID 113005055
(3R)-8-ethyl-4-(3-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95658196
[8-(2,6-dimethoxybenzoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone
CID 42820826
[(3R)-8-(3-chlorobenzoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone
CID 93136845
[4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone
CID 71956548
1-[4-[(3S)-4-(3-chlorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperazin-1-yl]ethanone
CID 93144477
ethyl 1-[4-(3-methoxybenzoyl)-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxylate
CID 71956179

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide (CID 46110785) is 1-[4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)C2COC3(CCCCC3)N2C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 1-[4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is ZHVYVZFXFXQJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O4/c23-17-6-4-5-16(13-17)20(28)26-18(14-30-22(26)9-2-1-3-10-22)21(29)25-11-7-15(8-12-25)19(24)27/h4-6,13,15,18H,1-3,7-12,14H2,(H2,24,27).
What are the key properties of 1-[4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide?
1-[4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 417.48 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 46110785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).