1-[4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide

C23H30FN3O4 — CID 46110821

IUPAC1-[4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide
SMILESCC1CCC2(CC1)OCC(C(=O)N1CCC(C(N)=O)CC1)N2C(=O)c1ccccc1F
InChIInChI=1S/C23H30FN3O4/c1-15-6-10-23(11-7-15)27(21(29)17-4-2-3-5-18(17)24)19(14-31-23)22(30)26-12-8-16(9-13-26)20(25)28/h2-5,15-16,19H,6-14H2,1H3,(H2,25,28)
InChIKeyZDBFXYJJZYQPJY-UHFFFAOYSA-N
MW431.51 g/mol
LogP2.30
Rot. Bonds3

About 1-[4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide

1-[4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide (PubChem CID 46110821) has the molecular formula C23H30FN3O4 and a molecular weight of 431.51 g/mol. Its IUPAC name is 1-[4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide
PubChem CID46110821
Molecular FormulaC23H30FN3O4
Molecular Weight431.51 g/mol
Exact Mass431.22
IUPAC Name1-[4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide
SMILESCC1CCC2(CC1)OCC(C(=O)N1CCC(C(N)=O)CC1)N2C(=O)c1ccccc1F
InChIInChI=1S/C23H30FN3O4/c1-15-6-10-23(11-7-15)27(21(29)17-4-2-3-5-18(17)24)19(14-31-23)22(30)26-12-8-16(9-13-26)20(25)28/h2-5,15-16,19H,6-14H2,1H3,(H2,25,28)
InChIKeyZDBFXYJJZYQPJY-UHFFFAOYSA-N
XLogP2.30
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide with MolForge

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Related Compounds

[(3R)-4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 93019308
1-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide
CID 93019327
cyclopentyl-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-methyl-1-oxa-4-azaspiro[4.5]decan-4-yl]methanone
CID 42882205
4-(2-fluorobenzoyl)-8-methyl-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 46110816
1-[4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide
CID 46110785
[8-(2-fluorobenzoyl)-4-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone
CID 71956094
(3R)-4-(2-fluorobenzoyl)-N-(3-methoxypropyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 93019292
(3R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 98640129
[4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone
CID 71956548
[8-(2-fluorobenzoyl)-4-(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone
CID 42820973
1-[4-[(3S)-4-(3-chlorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperazin-1-yl]ethanone
CID 93144477
(3R,5S,7R)-N-benzyl-4-(2-fluorobenzoyl)-7-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 98405136

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide (CID 46110821) is 1-[4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide is CC1CCC2(CC1)OCC(C(=O)N1CCC(C(N)=O)CC1)N2C(=O)c1ccccc1F.
What is the InChIKey of 1-[4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is ZDBFXYJJZYQPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O4/c1-15-6-10-23(11-7-15)27(21(29)17-4-2-3-5-18(17)24)19(14-31-23)22(30)26-12-8-16(9-13-26)20(25)28/h2-5,15-16,19H,6-14H2,1H3,(H2,25,28).
What are the key properties of 1-[4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide?
1-[4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 431.51 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 46110821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).