cyclopentyl-[8-(1-fluorocyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone

C18H27FN2O4 — CID 172884693

IUPACcyclopentyl-[8-(1-fluorocyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
SMILESO=C(C1CCCC1)N1CCOC2(C1)CN(C(=O)C1(F)CC1)CCCO2
InChIInChI=1S/C18H27FN2O4/c19-17(6-7-17)16(23)21-8-3-10-24-18(13-21)12-20(9-11-25-18)15(22)14-4-1-2-5-14/h14H,1-13H2
InChIKeyZSLQIVQDJPGIHC-UHFFFAOYSA-N
MW354.42 g/mol
LogP1.48
Rot. Bonds2

About cyclopentyl-[8-(1-fluorocyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone

cyclopentyl-[8-(1-fluorocyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone (PubChem CID 172884693) has the molecular formula C18H27FN2O4 and a molecular weight of 354.42 g/mol. Its IUPAC name is cyclopentyl-[8-(1-fluorocyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[8-(1-fluorocyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
PubChem CID172884693
Molecular FormulaC18H27FN2O4
Molecular Weight354.42 g/mol
Exact Mass354.20
IUPAC Namecyclopentyl-[8-(1-fluorocyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
SMILESO=C(C1CCCC1)N1CCOC2(C1)CN(C(=O)C1(F)CC1)CCCO2
InChIInChI=1S/C18H27FN2O4/c19-17(6-7-17)16(23)21-8-3-10-24-18(13-21)12-20(9-11-25-18)15(22)14-4-1-2-5-14/h14H,1-13H2
InChIKeyZSLQIVQDJPGIHC-UHFFFAOYSA-N
XLogP1.48
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[8-(1-fluorocyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
The IUPAC name of cyclopentyl-[8-(1-fluorocyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone (CID 172884693) is cyclopentyl-[8-(1-fluorocyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone.
What is the SMILES notation for cyclopentyl-[8-(1-fluorocyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
The canonical SMILES for cyclopentyl-[8-(1-fluorocyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone is O=C(C1CCCC1)N1CCOC2(C1)CN(C(=O)C1(F)CC1)CCCO2.
What is the InChIKey of cyclopentyl-[8-(1-fluorocyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
The InChIKey is ZSLQIVQDJPGIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O4/c19-17(6-7-17)16(23)21-8-3-10-24-18(13-21)12-20(9-11-25-18)15(22)14-4-1-2-5-14/h14H,1-13H2.
What are the key properties of cyclopentyl-[8-(1-fluorocyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
cyclopentyl-[8-(1-fluorocyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone has a molecular weight of 354.42 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[8-(1-fluorocyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone is sourced from PubChem (CID 172884693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).