(3S,5R)-9-(cyclopropylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane

C17H24N2O2 — CID 97371627

IUPAC(3S,5R)-9-(cyclopropylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane
SMILESc1cncc(O[C@@H]2CO[C@]3(CCCN(CC4CC4)C3)C2)c1
InChIInChI=1S/C17H24N2O2/c1-3-15(10-18-7-1)21-16-9-17(20-12-16)6-2-8-19(13-17)11-14-4-5-14/h1,3,7,10,14,16H,2,4-6,8-9,11-13H2/t16-,17+/m0/s1
InChIKeyZBFMLLPEFXQEAR-DLBZAZTESA-N
MW288.39 g/mol
LogP2.49
Rot. Bonds4

About (3S,5R)-9-(cyclopropylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane

(3S,5R)-9-(cyclopropylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane (PubChem CID 97371627) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (3S,5R)-9-(cyclopropylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S,5R)-9-(cyclopropylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane
PubChem CID97371627
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(3S,5R)-9-(cyclopropylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane
SMILESc1cncc(O[C@@H]2CO[C@]3(CCCN(CC4CC4)C3)C2)c1
InChIInChI=1S/C17H24N2O2/c1-3-15(10-18-7-1)21-16-9-17(20-12-16)6-2-8-19(13-17)11-14-4-5-14/h1,3,7,10,14,16H,2,4-6,8-9,11-13H2/t16-,17+/m0/s1
InChIKeyZBFMLLPEFXQEAR-DLBZAZTESA-N
XLogP2.49
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-9-(cyclopropylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (3S,5R)-9-(cyclopropylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane (CID 97371627) is (3S,5R)-9-(cyclopropylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (3S,5R)-9-(cyclopropylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (3S,5R)-9-(cyclopropylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane is c1cncc(O[C@@H]2CO[C@]3(CCCN(CC4CC4)C3)C2)c1.
What is the InChIKey of (3S,5R)-9-(cyclopropylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is ZBFMLLPEFXQEAR-DLBZAZTESA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-15(10-18-7-1)21-16-9-17(20-12-16)6-2-8-19(13-17)11-14-4-5-14/h1,3,7,10,14,16H,2,4-6,8-9,11-13H2/t16-,17+/m0/s1.
What are the key properties of (3S,5R)-9-(cyclopropylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane?
(3S,5R)-9-(cyclopropylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 288.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-9-(cyclopropylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 97371627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).