N-(3-fluorobutyl)-2-azaspiro[3.4]octane-2-carboxamide

C12H21FN2O — CID 126793950

IUPACN-(3-fluorobutyl)-2-azaspiro[3.4]octane-2-carboxamide
SMILESCC(F)CCNC(=O)N1CC2(CCCC2)C1
InChIInChI=1S/C12H21FN2O/c1-10(13)4-7-14-11(16)15-8-12(9-15)5-2-3-6-12/h10H,2-9H2,1H3,(H,14,16)
InChIKeyNOEDGNCHOOYJPJ-UHFFFAOYSA-N
MW228.31 g/mol
LogP2.32
Rot. Bonds3

About N-(3-fluorobutyl)-2-azaspiro[3.4]octane-2-carboxamide

N-(3-fluorobutyl)-2-azaspiro[3.4]octane-2-carboxamide (PubChem CID 126793950) has the molecular formula C12H21FN2O and a molecular weight of 228.31 g/mol. Its IUPAC name is N-(3-fluorobutyl)-2-azaspiro[3.4]octane-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluorobutyl)-2-azaspiro[3.4]octane-2-carboxamide
PubChem CID126793950
Molecular FormulaC12H21FN2O
Molecular Weight228.31 g/mol
Exact Mass228.16
IUPAC NameN-(3-fluorobutyl)-2-azaspiro[3.4]octane-2-carboxamide
SMILESCC(F)CCNC(=O)N1CC2(CCCC2)C1
InChIInChI=1S/C12H21FN2O/c1-10(13)4-7-14-11(16)15-8-12(9-15)5-2-3-6-12/h10H,2-9H2,1H3,(H,14,16)
InChIKeyNOEDGNCHOOYJPJ-UHFFFAOYSA-N
XLogP2.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorobutyl)-2-azaspiro[3.4]octane-2-carboxamide?
The IUPAC name of N-(3-fluorobutyl)-2-azaspiro[3.4]octane-2-carboxamide (CID 126793950) is N-(3-fluorobutyl)-2-azaspiro[3.4]octane-2-carboxamide.
What is the SMILES notation for N-(3-fluorobutyl)-2-azaspiro[3.4]octane-2-carboxamide?
The canonical SMILES for N-(3-fluorobutyl)-2-azaspiro[3.4]octane-2-carboxamide is CC(F)CCNC(=O)N1CC2(CCCC2)C1.
What is the InChIKey of N-(3-fluorobutyl)-2-azaspiro[3.4]octane-2-carboxamide?
The InChIKey is NOEDGNCHOOYJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN2O/c1-10(13)4-7-14-11(16)15-8-12(9-15)5-2-3-6-12/h10H,2-9H2,1H3,(H,14,16).
What are the key properties of N-(3-fluorobutyl)-2-azaspiro[3.4]octane-2-carboxamide?
N-(3-fluorobutyl)-2-azaspiro[3.4]octane-2-carboxamide has a molecular weight of 228.31 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorobutyl)-2-azaspiro[3.4]octane-2-carboxamide is sourced from PubChem (CID 126793950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).