1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone

C15H23F3N2O3 — CID 97246385

IUPAC1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone
SMILESO=C([C@H]1CCCN(CC(F)(F)F)C1)N1CCCC2(C1)OCCO2
InChIInChI=1S/C15H23F3N2O3/c16-15(17,18)11-19-5-1-3-12(9-19)13(21)20-6-2-4-14(10-20)22-7-8-23-14/h12H,1-11H2/t12-/m0/s1
InChIKeyGFGXHWIZJAOUTA-LBPRGKRZSA-N
MW336.35 g/mol
LogP1.63
Rot. Bonds2

About 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone

1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone (PubChem CID 97246385) has the molecular formula C15H23F3N2O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone
PubChem CID97246385
Molecular FormulaC15H23F3N2O3
Molecular Weight336.35 g/mol
Exact Mass336.17
IUPAC Name1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone
SMILESO=C([C@H]1CCCN(CC(F)(F)F)C1)N1CCCC2(C1)OCCO2
InChIInChI=1S/C15H23F3N2O3/c16-15(17,18)11-19-5-1-3-12(9-19)13(21)20-6-2-4-14(10-20)22-7-8-23-14/h12H,1-11H2/t12-/m0/s1
InChIKeyGFGXHWIZJAOUTA-LBPRGKRZSA-N
XLogP1.63
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-Dioxa-9-azaspiro[4.5]decan-9-yl-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone
CID 75391490
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone
CID 97246386
1-[3-(1,4-Dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 110344236
1-(1,3-dioxolan-2-ylmethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 122135647
(3R)-1-(1,3-dioxolan-2-ylmethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 124616154
(3S)-1-(1,3-dioxolan-2-ylmethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 124616155
1-(1,4-Dioxa-9-azaspiro[4.5]decan-9-yl)-3,3-difluoro-2-methylbutan-1-one
CID 130605095
(3,3-Difluorocyclobutyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 130886797
1-[2-(1,4-Dioxa-9-azaspiro[4.5]decan-9-yl)acetyl]piperidine-3-carboxamide
CID 71911829
(3S)-1-[2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)acetyl]piperidine-3-carboxamide
CID 97068653
(3R)-1-[2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)acetyl]piperidine-3-carboxamide
CID 97068654
1,4-Dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylpiperidin-3-yl)methanone
CID 110853599

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone?
The IUPAC name of 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone (CID 97246385) is 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone.
What is the SMILES notation for 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone?
The canonical SMILES for 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone is O=C([C@H]1CCCN(CC(F)(F)F)C1)N1CCCC2(C1)OCCO2.
What is the InChIKey of 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone?
The InChIKey is GFGXHWIZJAOUTA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23F3N2O3/c16-15(17,18)11-19-5-1-3-12(9-19)13(21)20-6-2-4-14(10-20)22-7-8-23-14/h12H,1-11H2/t12-/m0/s1.
What are the key properties of 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone?
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone has a molecular weight of 336.35 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone is sourced from PubChem (CID 97246385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).