3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl(piperidin-3-yl)methanone

C13H22N2O2 — CID 121202092

IUPAC3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl(piperidin-3-yl)methanone
SMILESO=C(C1CCCNC1)N1CCC2COCC2C1
InChIInChI=1S/C13H22N2O2/c16-13(10-2-1-4-14-6-10)15-5-3-11-8-17-9-12(11)7-15/h10-12,14H,1-9H2
InChIKeyUTPOQLSMZDQSFB-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.48
Rot. Bonds1

About 3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl(piperidin-3-yl)methanone

3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl(piperidin-3-yl)methanone (PubChem CID 121202092) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl(piperidin-3-yl)methanone.

Molecular Properties

Compound Name3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl(piperidin-3-yl)methanone
PubChem CID121202092
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl(piperidin-3-yl)methanone
SMILESO=C(C1CCCNC1)N1CCC2COCC2C1
InChIInChI=1S/C13H22N2O2/c16-13(10-2-1-4-14-6-10)15-5-3-11-8-17-9-12(11)7-15/h10-12,14H,1-9H2
InChIKeyUTPOQLSMZDQSFB-UHFFFAOYSA-N
XLogP0.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl(piperidin-3-yl)methanone with MolForge

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Related Compounds

[(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 129496385
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl(piperidin-3-yl)methanone
CID 43620377
(3-morpholin-4-ylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81141484
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
[(3S)-3-hydroxypiperidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 93086400
1,4-oxazepan-4-yl-[(3S)-piperidin-3-yl]methanone
CID 81141474
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 114797503
1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide
CID 7183153
3-oxa-6-azabicyclo[3.1.1]heptan-6-yl(piperidin-3-yl)methanone
CID 121201235
3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl(piperidin-2-yl)methanone
CID 121202091
piperidin-3-yl-(3-propylpyrrolidin-1-yl)methanone
CID 115734206

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl(piperidin-3-yl)methanone?
The IUPAC name of 3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl(piperidin-3-yl)methanone (CID 121202092) is 3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl(piperidin-3-yl)methanone.
What is the SMILES notation for 3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl(piperidin-3-yl)methanone?
The canonical SMILES for 3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl(piperidin-3-yl)methanone is O=C(C1CCCNC1)N1CCC2COCC2C1.
What is the InChIKey of 3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl(piperidin-3-yl)methanone?
The InChIKey is UTPOQLSMZDQSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-13(10-2-1-4-14-6-10)15-5-3-11-8-17-9-12(11)7-15/h10-12,14H,1-9H2.
What are the key properties of 3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl(piperidin-3-yl)methanone?
3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl(piperidin-3-yl)methanone has a molecular weight of 238.33 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl(piperidin-3-yl)methanone is sourced from PubChem (CID 121202092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).