8-(3-amino-5-fluoropiperidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C13H23FN4O2 — CID 134321749

IUPAC8-(3-amino-5-fluoropiperidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(C3C(N)CNCC3F)CC2)OC1=O
InChIInChI=1S/C13H23FN4O2/c1-17-8-13(20-12(17)19)2-4-18(5-3-13)11-9(14)6-16-7-10(11)15/h9-11,16H,2-8,15H2,1H3
InChIKeyAVEACQJZRHXCGK-UHFFFAOYSA-N
MW286.35 g/mol
LogP-0.46
Rot. Bonds1

About 8-(3-amino-5-fluoropiperidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(3-amino-5-fluoropiperidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 134321749) has the molecular formula C13H23FN4O2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 8-(3-amino-5-fluoropiperidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(3-amino-5-fluoropiperidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID134321749
Molecular FormulaC13H23FN4O2
Molecular Weight286.35 g/mol
Exact Mass286.18
IUPAC Name8-(3-amino-5-fluoropiperidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(C3C(N)CNCC3F)CC2)OC1=O
InChIInChI=1S/C13H23FN4O2/c1-17-8-13(20-12(17)19)2-4-18(5-3-13)11-9(14)6-16-7-10(11)15/h9-11,16H,2-8,15H2,1H3
InChIKeyAVEACQJZRHXCGK-UHFFFAOYSA-N
XLogP-0.46
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3-amino-5-fluoropiperidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(3-amino-5-fluoropiperidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 134321749) is 8-(3-amino-5-fluoropiperidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(3-amino-5-fluoropiperidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(3-amino-5-fluoropiperidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN1CC2(CCN(C3C(N)CNCC3F)CC2)OC1=O.
What is the InChIKey of 8-(3-amino-5-fluoropiperidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is AVEACQJZRHXCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN4O2/c1-17-8-13(20-12(17)19)2-4-18(5-3-13)11-9(14)6-16-7-10(11)15/h9-11,16H,2-8,15H2,1H3.
What are the key properties of 8-(3-amino-5-fluoropiperidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(3-amino-5-fluoropiperidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 286.35 g/mol, XLogP of -0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-amino-5-fluoropiperidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 134321749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).