(1-fluorocyclopropyl)-[9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone

C18H24FN3O2 — CID 131686892

IUPAC(1-fluorocyclopropyl)-[9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
SMILESO=C(N1CCOC2(CCN(Cc3ccncc3)CC2)C1)C1(F)CC1
InChIInChI=1S/C18H24FN3O2/c19-18(3-4-18)16(23)22-11-12-24-17(14-22)5-9-21(10-6-17)13-15-1-7-20-8-2-15/h1-2,7-8H,3-6,9-14H2
InChIKeyLHDLSPRKIAPXON-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.78
Rot. Bonds3

About (1-fluorocyclopropyl)-[9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone

(1-fluorocyclopropyl)-[9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone (PubChem CID 131686892) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is (1-fluorocyclopropyl)-[9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone.

Molecular Properties

Compound Name(1-fluorocyclopropyl)-[9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
PubChem CID131686892
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name(1-fluorocyclopropyl)-[9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
SMILESO=C(N1CCOC2(CCN(Cc3ccncc3)CC2)C1)C1(F)CC1
InChIInChI=1S/C18H24FN3O2/c19-18(3-4-18)16(23)22-11-12-24-17(14-22)5-9-21(10-6-17)13-15-1-7-20-8-2-15/h1-2,7-8H,3-6,9-14H2
InChIKeyLHDLSPRKIAPXON-UHFFFAOYSA-N
XLogP1.78
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclopropyl)-[9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?
The IUPAC name of (1-fluorocyclopropyl)-[9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone (CID 131686892) is (1-fluorocyclopropyl)-[9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone.
What is the SMILES notation for (1-fluorocyclopropyl)-[9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?
The canonical SMILES for (1-fluorocyclopropyl)-[9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone is O=C(N1CCOC2(CCN(Cc3ccncc3)CC2)C1)C1(F)CC1.
What is the InChIKey of (1-fluorocyclopropyl)-[9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?
The InChIKey is LHDLSPRKIAPXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c19-18(3-4-18)16(23)22-11-12-24-17(14-22)5-9-21(10-6-17)13-15-1-7-20-8-2-15/h1-2,7-8H,3-6,9-14H2.
What are the key properties of (1-fluorocyclopropyl)-[9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?
(1-fluorocyclopropyl)-[9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone has a molecular weight of 333.41 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclopropyl)-[9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone is sourced from PubChem (CID 131686892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).