7-[(4-fluorophenyl)methyl]-2-(pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C21H22FN3O2 — CID 45213288

IUPAC7-[(4-fluorophenyl)methyl]-2-(pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(c1ccccn1)N1CCC2(CCCN(Cc3ccc(F)cc3)C2=O)C1
InChIInChI=1S/C21H22FN3O2/c22-17-7-5-16(6-8-17)14-24-12-3-9-21(20(24)27)10-13-25(15-21)19(26)18-4-1-2-11-23-18/h1-2,4-8,11H,3,9-10,12-15H2
InChIKeyYIQBDTDGWNHIBM-UHFFFAOYSA-N
MW367.42 g/mol
LogP2.88
Rot. Bonds3

About 7-[(4-fluorophenyl)methyl]-2-(pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-[(4-fluorophenyl)methyl]-2-(pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45213288) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-2-(pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-2-(pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45213288
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name7-[(4-fluorophenyl)methyl]-2-(pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(c1ccccn1)N1CCC2(CCCN(Cc3ccc(F)cc3)C2=O)C1
InChIInChI=1S/C21H22FN3O2/c22-17-7-5-16(6-8-17)14-24-12-3-9-21(20(24)27)10-13-25(15-21)19(26)18-4-1-2-11-23-18/h1-2,4-8,11H,3,9-10,12-15H2
InChIKeyYIQBDTDGWNHIBM-UHFFFAOYSA-N
XLogP2.88
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-[(4-fluorophenyl)methyl]-2-(pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-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 7-[(4-fluorophenyl)methyl]-2-(pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-2-(pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45213288) is 7-[(4-fluorophenyl)methyl]-2-(pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-2-(pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-2-(pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is O=C(c1ccccn1)N1CCC2(CCCN(Cc3ccc(F)cc3)C2=O)C1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-2-(pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is YIQBDTDGWNHIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c22-17-7-5-16(6-8-17)14-24-12-3-9-21(20(24)27)10-13-25(15-21)19(26)18-4-1-2-11-23-18/h1-2,4-8,11H,3,9-10,12-15H2.
What are the key properties of 7-[(4-fluorophenyl)methyl]-2-(pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-[(4-fluorophenyl)methyl]-2-(pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 367.42 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-2-(pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45213288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).