1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-fluorobenzoyl)piperidin-4-yl]methanone

C20H25FN2O4 — CID 113005055

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-fluorobenzoyl)piperidin-4-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCC(C(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C20H25FN2O4/c21-17-3-1-2-16(14-17)19(25)22-8-4-15(5-9-22)18(24)23-10-6-20(7-11-23)26-12-13-27-20/h1-3,14-15H,4-13H2
InChIKeyVUMLCCWBPLNKDK-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.04
Rot. Bonds2

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-fluorobenzoyl)piperidin-4-yl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-fluorobenzoyl)piperidin-4-yl]methanone (PubChem CID 113005055) has the molecular formula C20H25FN2O4 and a molecular weight of 376.43 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-fluorobenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-fluorobenzoyl)piperidin-4-yl]methanone
PubChem CID113005055
Molecular FormulaC20H25FN2O4
Molecular Weight376.43 g/mol
Exact Mass376.18
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-fluorobenzoyl)piperidin-4-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCC(C(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C20H25FN2O4/c21-17-3-1-2-16(14-17)19(25)22-8-4-15(5-9-22)18(24)23-10-6-20(7-11-23)26-12-13-27-20/h1-3,14-15H,4-13H2
InChIKeyVUMLCCWBPLNKDK-UHFFFAOYSA-N
XLogP2.04
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-fluorobenzoyl)piperidin-4-yl]methanone with MolForge

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Related Compounds

[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051667
[1-(3,4-difluorobenzoyl)azetidin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 52907494
[1-(3-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 1438163
[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 932369
[1-(3-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 3769094
1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-fluorobenzamide
CID 43057717
[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl] acetate
CID 57224433
(3-fluorophenyl)-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 134080148
(3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868479
(3-fluorophenyl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124967902

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-fluorobenzoyl)piperidin-4-yl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-fluorobenzoyl)piperidin-4-yl]methanone (CID 113005055) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-fluorobenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-fluorobenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-fluorobenzoyl)piperidin-4-yl]methanone is O=C(c1cccc(F)c1)N1CCC(C(=O)N2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-fluorobenzoyl)piperidin-4-yl]methanone?
The InChIKey is VUMLCCWBPLNKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4/c21-17-3-1-2-16(14-17)19(25)22-8-4-15(5-9-22)18(24)23-10-6-20(7-11-23)26-12-13-27-20/h1-3,14-15H,4-13H2.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-fluorobenzoyl)piperidin-4-yl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-fluorobenzoyl)piperidin-4-yl]methanone has a molecular weight of 376.43 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-fluorobenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 113005055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).