(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octane

C11H20N2O — CID 167264877

IUPAC(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octane
SMILESC1CCN([C@@H]2COC3(CNC3)C2)CC1
InChIInChI=1S/C11H20N2O/c1-2-4-13(5-3-1)10-6-11(14-7-10)8-12-9-11/h10,12H,1-9H2/t10-/m0/s1
InChIKeyTUQVQAWQUBWHHP-JTQLQIEISA-N
MW196.29 g/mol
LogP0.60
Rot. Bonds1

About (7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octane

(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octane (PubChem CID 167264877) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octane
PubChem CID167264877
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octane
SMILESC1CCN([C@@H]2COC3(CNC3)C2)CC1
InChIInChI=1S/C11H20N2O/c1-2-4-13(5-3-1)10-6-11(14-7-10)8-12-9-11/h10,12H,1-9H2/t10-/m0/s1
InChIKeyTUQVQAWQUBWHHP-JTQLQIEISA-N
XLogP0.60
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 155879884
(3S)-8-ethylsulfonyl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane
CID 97371322
2,3,4-trimethyl-6-[1-[(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl]piperidin-4-yl]phenol
CID 170384163
1-[4-(1-oxa-8-azaspiro[4.5]decan-3-yl)-1,4-diazepan-1-yl]ethanone;dihydrochloride
CID 17088050
(3R)-8-pyrimidin-2-yl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane
CID 97371319
1-(5,5-dimethyloxolan-3-yl)-1,4-diazepane
CID 131034515
ethane;1-(oxetan-3-yl)piperidine
CID 170574433
1-[(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone
CID 164636350
(3R)-8-[(4-methylphenyl)methyl]-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane
CID 97450591
2-(4-methoxyphenyl)-1-[(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 164633890
(3R)-8-(furan-2-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane
CID 97371301
1-(5-oxaspiro[3.5]nonan-8-yl)-1,4-diazepane
CID 79905033

Frequently Asked Questions

What is the IUPAC name of (7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of (7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octane (CID 167264877) is (7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for (7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for (7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octane is C1CCN([C@@H]2COC3(CNC3)C2)CC1.
What is the InChIKey of (7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is TUQVQAWQUBWHHP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-4-13(5-3-1)10-6-11(14-7-10)8-12-9-11/h10,12H,1-9H2/t10-/m0/s1.
What are the key properties of (7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octane?
(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 196.29 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 167264877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).