3-[(4-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one

C16H21FN2O — CID 110082482

IUPAC3-[(4-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1C(=O)C2(CCNCC2)CC1Cc1ccc(F)cc1
InChIInChI=1S/C16H21FN2O/c1-19-14(10-12-2-4-13(17)5-3-12)11-16(15(19)20)6-8-18-9-7-16/h2-5,14,18H,6-11H2,1H3
InChIKeySTVDBGYSDZELEX-UHFFFAOYSA-N
MW276.35 g/mol
LogP1.97
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one

3-[(4-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 110082482) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID110082482
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name3-[(4-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1C(=O)C2(CCNCC2)CC1Cc1ccc(F)cc1
InChIInChI=1S/C16H21FN2O/c1-19-14(10-12-2-4-13(17)5-3-12)11-16(15(19)20)6-8-18-9-7-16/h2-5,14,18H,6-11H2,1H3
InChIKeySTVDBGYSDZELEX-UHFFFAOYSA-N
XLogP1.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one (CID 110082482) is 3-[(4-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one is CN1C(=O)C2(CCNCC2)CC1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is STVDBGYSDZELEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-19-14(10-12-2-4-13(17)5-3-12)11-16(15(19)20)6-8-18-9-7-16/h2-5,14,18H,6-11H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
3-[(4-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 276.35 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 110082482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).