(3-fluorophenyl)-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone

C18H25FN2O3 — CID 97491878

IUPAC(3-fluorophenyl)-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESCOCCN1CCOCC12CCN(C(=O)c1cccc(F)c1)CC2
InChIInChI=1S/C18H25FN2O3/c1-23-11-9-21-10-12-24-14-18(21)5-7-20(8-6-18)17(22)15-3-2-4-16(19)13-15/h2-4,13H,5-12,14H2,1H3
InChIKeyMZWNJULVZMJIMC-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.78
Rot. Bonds4

About (3-fluorophenyl)-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone

(3-fluorophenyl)-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone (PubChem CID 97491878) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is (3-fluorophenyl)-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone
PubChem CID97491878
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name(3-fluorophenyl)-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESCOCCN1CCOCC12CCN(C(=O)c1cccc(F)c1)CC2
InChIInChI=1S/C18H25FN2O3/c1-23-11-9-21-10-12-24-14-18(21)5-7-20(8-6-18)17(22)15-3-2-4-16(19)13-15/h2-4,13H,5-12,14H2,1H3
InChIKeyMZWNJULVZMJIMC-UHFFFAOYSA-N
XLogP1.78
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone (CID 97491878) is (3-fluorophenyl)-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone is COCCN1CCOCC12CCN(C(=O)c1cccc(F)c1)CC2.
What is the InChIKey of (3-fluorophenyl)-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is MZWNJULVZMJIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-23-11-9-21-10-12-24-14-18(21)5-7-20(8-6-18)17(22)15-3-2-4-16(19)13-15/h2-4,13H,5-12,14H2,1H3.
What are the key properties of (3-fluorophenyl)-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone?
(3-fluorophenyl)-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 336.41 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 97491878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).