2-cyclopropyl-1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone

C17H23FN4O2 — CID 97451026

IUPAC2-cyclopropyl-1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
SMILESO=C(CC1CC1)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2
InChIInChI=1S/C17H23FN4O2/c18-14-10-19-16(20-11-14)22-7-8-24-17(12-22)3-5-21(6-4-17)15(23)9-13-1-2-13/h10-11,13H,1-9,12H2
InChIKeyAJHSNFPUJXXZNX-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.61
Rot. Bonds3

About 2-cyclopropyl-1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone

2-cyclopropyl-1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone (PubChem CID 97451026) has the molecular formula C17H23FN4O2 and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
PubChem CID97451026
Molecular FormulaC17H23FN4O2
Molecular Weight334.40 g/mol
Exact Mass334.18
IUPAC Name2-cyclopropyl-1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
SMILESO=C(CC1CC1)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2
InChIInChI=1S/C17H23FN4O2/c18-14-10-19-16(20-11-14)22-7-8-24-17(12-22)3-5-21(6-4-17)15(23)9-13-1-2-13/h10-11,13H,1-9,12H2
InChIKeyAJHSNFPUJXXZNX-UHFFFAOYSA-N
XLogP1.61
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone (CID 97451026) is 2-cyclopropyl-1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone is O=C(CC1CC1)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2.
What is the InChIKey of 2-cyclopropyl-1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone?
The InChIKey is AJHSNFPUJXXZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2/c18-14-10-19-16(20-11-14)22-7-8-24-17(12-22)3-5-21(6-4-17)15(23)9-13-1-2-13/h10-11,13H,1-9,12H2.
What are the key properties of 2-cyclopropyl-1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone?
2-cyclopropyl-1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone has a molecular weight of 334.40 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone is sourced from PubChem (CID 97451026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).