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

C15H27FN4O2 — CID 134339910

IUPAC8-(3-amino-1-ethyl-5-fluoropiperidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CC(N)C(N2CCC3(CC2)CN(C)C(=O)O3)C(F)C1
InChIInChI=1S/C15H27FN4O2/c1-3-19-8-11(16)13(12(17)9-19)20-6-4-15(5-7-20)10-18(2)14(21)22-15/h11-13H,3-10,17H2,1-2H3
InChIKeyPODAWIGZSGZERI-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.27
Rot. Bonds2

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

8-(3-amino-1-ethyl-5-fluoropiperidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 134339910) has the molecular formula C15H27FN4O2 and a molecular weight of 314.41 g/mol. Its IUPAC name is 8-(3-amino-1-ethyl-5-fluoropiperidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(3-amino-1-ethyl-5-fluoropiperidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID134339910
Molecular FormulaC15H27FN4O2
Molecular Weight314.41 g/mol
Exact Mass314.21
IUPAC Name8-(3-amino-1-ethyl-5-fluoropiperidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CC(N)C(N2CCC3(CC2)CN(C)C(=O)O3)C(F)C1
InChIInChI=1S/C15H27FN4O2/c1-3-19-8-11(16)13(12(17)9-19)20-6-4-15(5-7-20)10-18(2)14(21)22-15/h11-13H,3-10,17H2,1-2H3
InChIKeyPODAWIGZSGZERI-UHFFFAOYSA-N
XLogP0.27
TPSA62.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3-amino-1-ethyl-5-fluoropiperidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(3-amino-1-ethyl-5-fluoropiperidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 134339910) is 8-(3-amino-1-ethyl-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-1-ethyl-5-fluoropiperidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(3-amino-1-ethyl-5-fluoropiperidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCN1CC(N)C(N2CCC3(CC2)CN(C)C(=O)O3)C(F)C1.
What is the InChIKey of 8-(3-amino-1-ethyl-5-fluoropiperidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is PODAWIGZSGZERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27FN4O2/c1-3-19-8-11(16)13(12(17)9-19)20-6-4-15(5-7-20)10-18(2)14(21)22-15/h11-13H,3-10,17H2,1-2H3.
What are the key properties of 8-(3-amino-1-ethyl-5-fluoropiperidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(3-amino-1-ethyl-5-fluoropiperidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 314.41 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-amino-1-ethyl-5-fluoropiperidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 134339910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).