cyclopropyl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

C18H24N2O3 — CID 97419741

About cyclopropyl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

cyclopropyl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (PubChem CID 97419741) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is cyclopropyl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.

Molecular Properties

• Compound Name: cyclopropyl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
• PubChem CID: 97419741
• Molecular Formula: C18H24N2O3
• Molecular Weight: 316.40 g/mol
• Exact Mass: 316.18
• IUPAC Name: cyclopropyl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
• SMILES: O=C(C1CC1)N1CCC[C@]2(C[C@H](OCc3cccnc3)CO2)C1
• InChI: InChI=1S/C18H24N2O3/c21-17(15-4-5-15)20-8-2-6-18(13-20)9-16(12-23-18)22-11-14-3-1-7-19-10-14/h1,3,7,10,15-16H,2,4-6,8-9,11-13H2/t16-,18-/m0/s1
• InChIKey: KCRNJQJYDNYXHZ-WMZOPIPTSA-N
• XLogP: 2.16
• TPSA: 51.66 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.40
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?

The IUPAC name of cyclopropyl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (CID 97419741) is cyclopropyl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.

What is the SMILES notation for cyclopropyl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?

The canonical SMILES for cyclopropyl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is O=C(C1CC1)N1CCC[C@]2(C[C@H](OCc3cccnc3)CO2)C1.

What is the InChIKey of cyclopropyl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?

The InChIKey is KCRNJQJYDNYXHZ-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-17(15-4-5-15)20-8-2-6-18(13-20)9-16(12-23-18)22-11-14-3-1-7-19-10-14/h1,3,7,10,15-16H,2,4-6,8-9,11-13H2/t16-,18-/m0/s1.

What are the key properties of cyclopropyl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?

cyclopropyl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone has a molecular weight of 316.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropyl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is sourced from PubChem (CID 97419741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).