1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-piperidin-3-ylpropan-1-one

C14H24N2O2 — CID 66372384

IUPAC1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-piperidin-3-ylpropan-1-one
SMILESO=C(CCC1CCCNC1)N1CC2CCC(C1)O2
InChIInChI=1S/C14H24N2O2/c17-14(6-3-11-2-1-7-15-8-11)16-9-12-4-5-13(10-16)18-12/h11-13,15H,1-10H2
InChIKeyBYOGCINRATVUOB-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.16
Rot. Bonds3

About 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-piperidin-3-ylpropan-1-one

1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-piperidin-3-ylpropan-1-one (PubChem CID 66372384) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-piperidin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-piperidin-3-ylpropan-1-one
PubChem CID66372384
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-piperidin-3-ylpropan-1-one
SMILESO=C(CCC1CCCNC1)N1CC2CCC(C1)O2
InChIInChI=1S/C14H24N2O2/c17-14(6-3-11-2-1-7-15-8-11)16-9-12-4-5-13(10-16)18-12/h11-13,15H,1-10H2
InChIKeyBYOGCINRATVUOB-UHFFFAOYSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxy-3-methylazetidin-1-yl)-3-piperidin-3-ylpropan-1-one
CID 107219335
3-(4-aminocyclohexyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 66370717
1-[3-(dimethylamino)pyrrolidin-1-yl]-3-piperidin-3-ylpropan-1-one
CID 63167273
1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-3-ylpropan-1-one
CID 107404314
4-amino-4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-one
CID 66370433
1-(3-ethylpyrrolidin-1-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 115774867
4-(3-piperidin-3-ylpropanoyl)morpholine-3-carboxamide
CID 83102158
methyl 3-piperidin-3-ylpropanoate;hydrochloride
CID 47000746
N-(4-hydroxybutan-2-yl)-3-piperidin-3-ylpropanamide
CID 83176255
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-3-ylpropan-1-one
CID 57445005
cyclobutyl 3-piperidin-3-ylpropanoate
CID 62217581
N-(3-cyclopentylpropyl)-3-piperidin-3-ylpropanamide
CID 106011682

Frequently Asked Questions

What is the IUPAC name of 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-piperidin-3-ylpropan-1-one?
The IUPAC name of 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-piperidin-3-ylpropan-1-one (CID 66372384) is 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-piperidin-3-ylpropan-1-one.
What is the SMILES notation for 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-piperidin-3-ylpropan-1-one?
The canonical SMILES for 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-piperidin-3-ylpropan-1-one is O=C(CCC1CCCNC1)N1CC2CCC(C1)O2.
What is the InChIKey of 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-piperidin-3-ylpropan-1-one?
The InChIKey is BYOGCINRATVUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-14(6-3-11-2-1-7-15-8-11)16-9-12-4-5-13(10-16)18-12/h11-13,15H,1-10H2.
What are the key properties of 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-piperidin-3-ylpropan-1-one?
1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-piperidin-3-ylpropan-1-one has a molecular weight of 252.36 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-piperidin-3-ylpropan-1-one is sourced from PubChem (CID 66372384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).