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

C19H27FN2O — CID 175662858

IUPAC3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)CN1C(=O)C2(CCNCC2)CC1Cc1ccc(F)cc1
InChIInChI=1S/C19H27FN2O/c1-14(2)13-22-17(11-15-3-5-16(20)6-4-15)12-19(18(22)23)7-9-21-10-8-19/h3-6,14,17,21H,7-13H2,1-2H3
InChIKeyMEGXMELBEZJSRW-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.99
Rot. Bonds4

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

3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 175662858) has the molecular formula C19H27FN2O and a molecular weight of 318.44 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID175662858
Molecular FormulaC19H27FN2O
Molecular Weight318.44 g/mol
Exact Mass318.21
IUPAC Name3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)CN1C(=O)C2(CCNCC2)CC1Cc1ccc(F)cc1
InChIInChI=1S/C19H27FN2O/c1-14(2)13-22-17(11-15-3-5-16(20)6-4-15)12-19(18(22)23)7-9-21-10-8-19/h3-6,14,17,21H,7-13H2,1-2H3
InChIKeyMEGXMELBEZJSRW-UHFFFAOYSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one (CID 175662858) is 3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one is CC(C)CN1C(=O)C2(CCNCC2)CC1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is MEGXMELBEZJSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O/c1-14(2)13-22-17(11-15-3-5-16(20)6-4-15)12-19(18(22)23)7-9-21-10-8-19/h3-6,14,17,21H,7-13H2,1-2H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one?
3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 318.44 g/mol, XLogP of 2.99, 4 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-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 175662858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).