(1-fluorocyclopropyl)-[11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone

C19H26FN3O2 — CID 131686207

IUPAC(1-fluorocyclopropyl)-[11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone
SMILESO=C(N1CCC2(CC1)COCCN(Cc1ccncc1)C2)C1(F)CC1
InChIInChI=1S/C19H26FN3O2/c20-19(3-4-19)17(24)23-9-5-18(6-10-23)14-22(11-12-25-15-18)13-16-1-7-21-8-2-16/h1-2,7-8H,3-6,9-15H2
InChIKeyDYCVSVYRPMCBAH-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.02
Rot. Bonds3

About (1-fluorocyclopropyl)-[11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone

(1-fluorocyclopropyl)-[11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone (PubChem CID 131686207) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is (1-fluorocyclopropyl)-[11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone.

Molecular Properties

Compound Name(1-fluorocyclopropyl)-[11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone
PubChem CID131686207
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name(1-fluorocyclopropyl)-[11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone
SMILESO=C(N1CCC2(CC1)COCCN(Cc1ccncc1)C2)C1(F)CC1
InChIInChI=1S/C19H26FN3O2/c20-19(3-4-19)17(24)23-9-5-18(6-10-23)14-22(11-12-25-15-18)13-16-1-7-21-8-2-16/h1-2,7-8H,3-6,9-15H2
InChIKeyDYCVSVYRPMCBAH-UHFFFAOYSA-N
XLogP2.02
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclopropyl)-[11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone?
The IUPAC name of (1-fluorocyclopropyl)-[11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone (CID 131686207) is (1-fluorocyclopropyl)-[11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone.
What is the SMILES notation for (1-fluorocyclopropyl)-[11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone?
The canonical SMILES for (1-fluorocyclopropyl)-[11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone is O=C(N1CCC2(CC1)COCCN(Cc1ccncc1)C2)C1(F)CC1.
What is the InChIKey of (1-fluorocyclopropyl)-[11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone?
The InChIKey is DYCVSVYRPMCBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c20-19(3-4-19)17(24)23-9-5-18(6-10-23)14-22(11-12-25-15-18)13-16-1-7-21-8-2-16/h1-2,7-8H,3-6,9-15H2.
What are the key properties of (1-fluorocyclopropyl)-[11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone?
(1-fluorocyclopropyl)-[11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone has a molecular weight of 347.43 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclopropyl)-[11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone is sourced from PubChem (CID 131686207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).