cyclopenten-1-yl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone

C19H24N2O3 — CID 97419844

IUPACcyclopenten-1-yl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
SMILESO=C(C1=CCCC1)N1CC[C@]2(C[C@H](OCc3cccnc3)CO2)C1
InChIInChI=1S/C19H24N2O3/c22-18(16-5-1-2-6-16)21-9-7-19(14-21)10-17(13-24-19)23-12-15-4-3-8-20-11-15/h3-5,8,11,17H,1-2,6-7,9-10,12-14H2/t17-,19-/m0/s1
InChIKeyZARQHEXDFHNXGC-HKUYNNGSSA-N
MW328.41 g/mol
LogP2.47
Rot. Bonds4

About cyclopenten-1-yl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone

cyclopenten-1-yl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone (PubChem CID 97419844) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is cyclopenten-1-yl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone.

Molecular Properties

Compound Namecyclopenten-1-yl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
PubChem CID97419844
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Namecyclopenten-1-yl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
SMILESO=C(C1=CCCC1)N1CC[C@]2(C[C@H](OCc3cccnc3)CO2)C1
InChIInChI=1S/C19H24N2O3/c22-18(16-5-1-2-6-16)21-9-7-19(14-21)10-17(13-24-19)23-12-15-4-3-8-20-11-15/h3-5,8,11,17H,1-2,6-7,9-10,12-14H2/t17-,19-/m0/s1
InChIKeyZARQHEXDFHNXGC-HKUYNNGSSA-N
XLogP2.47
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The IUPAC name of cyclopenten-1-yl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone (CID 97419844) is cyclopenten-1-yl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone.
What is the SMILES notation for cyclopenten-1-yl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The canonical SMILES for cyclopenten-1-yl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone is O=C(C1=CCCC1)N1CC[C@]2(C[C@H](OCc3cccnc3)CO2)C1.
What is the InChIKey of cyclopenten-1-yl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The InChIKey is ZARQHEXDFHNXGC-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-18(16-5-1-2-6-16)21-9-7-19(14-21)10-17(13-24-19)23-12-15-4-3-8-20-11-15/h3-5,8,11,17H,1-2,6-7,9-10,12-14H2/t17-,19-/m0/s1.
What are the key properties of cyclopenten-1-yl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
cyclopenten-1-yl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone has a molecular weight of 328.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone is sourced from PubChem (CID 97419844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).