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

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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).