1-[(4-fluorophenyl)methyl]-3-[3-(piperidine-1-carbonyl)phenyl]-1,3-diazinan-2-one

C23H26FN3O2 — CID 50814385

IUPAC1-[(4-fluorophenyl)methyl]-3-[3-(piperidine-1-carbonyl)phenyl]-1,3-diazinan-2-one
SMILESO=C(c1cccc(N2CCCN(Cc3ccc(F)cc3)C2=O)c1)N1CCCCC1
InChIInChI=1S/C23H26FN3O2/c24-20-10-8-18(9-11-20)17-26-14-5-15-27(23(26)29)21-7-4-6-19(16-21)22(28)25-12-2-1-3-13-25/h4,6-11,16H,1-3,5,12-15,17H2
InChIKeyWQGRZIHDEHHRFG-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.28
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-3-[3-(piperidine-1-carbonyl)phenyl]-1,3-diazinan-2-one

1-[(4-fluorophenyl)methyl]-3-[3-(piperidine-1-carbonyl)phenyl]-1,3-diazinan-2-one (PubChem CID 50814385) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[3-(piperidine-1-carbonyl)phenyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[3-(piperidine-1-carbonyl)phenyl]-1,3-diazinan-2-one
PubChem CID50814385
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[3-(piperidine-1-carbonyl)phenyl]-1,3-diazinan-2-one
SMILESO=C(c1cccc(N2CCCN(Cc3ccc(F)cc3)C2=O)c1)N1CCCCC1
InChIInChI=1S/C23H26FN3O2/c24-20-10-8-18(9-11-20)17-26-14-5-15-27(23(26)29)21-7-4-6-19(16-21)22(28)25-12-2-1-3-13-25/h4,6-11,16H,1-3,5,12-15,17H2
InChIKeyWQGRZIHDEHHRFG-UHFFFAOYSA-N
XLogP4.28
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-3-[(3-fluorophenyl)methyl]-1,3-diazinan-2-one
CID 50814335
3-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 93040108
4-fluoro-N-[3-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzenesulfonamide
CID 46070914
1-benzyl-3-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-1,3-diazinan-2-one
CID 50814325
3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-propan-2-ylbenzamide
CID 50813895
N-[3-[3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-(4-fluorophenyl)acetamide
CID 46069959
N-[3-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-fluorobenzamide
CID 42868781
(3-aminophenyl)-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 119838903
1-[3-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 110308578
N-(3-chlorophenyl)-3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
CID 50814161
1-[(4-chlorophenyl)methyl]-3-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-1,3-diazinan-2-one
CID 50813739
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[3-(piperidine-1-carbonyl)phenyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[3-(piperidine-1-carbonyl)phenyl]-1,3-diazinan-2-one (CID 50814385) is 1-[(4-fluorophenyl)methyl]-3-[3-(piperidine-1-carbonyl)phenyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[3-(piperidine-1-carbonyl)phenyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[3-(piperidine-1-carbonyl)phenyl]-1,3-diazinan-2-one is O=C(c1cccc(N2CCCN(Cc3ccc(F)cc3)C2=O)c1)N1CCCCC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[3-(piperidine-1-carbonyl)phenyl]-1,3-diazinan-2-one?
The InChIKey is WQGRZIHDEHHRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c24-20-10-8-18(9-11-20)17-26-14-5-15-27(23(26)29)21-7-4-6-19(16-21)22(28)25-12-2-1-3-13-25/h4,6-11,16H,1-3,5,12-15,17H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[3-(piperidine-1-carbonyl)phenyl]-1,3-diazinan-2-one?
1-[(4-fluorophenyl)methyl]-3-[3-(piperidine-1-carbonyl)phenyl]-1,3-diazinan-2-one has a molecular weight of 395.48 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[3-(piperidine-1-carbonyl)phenyl]-1,3-diazinan-2-one is sourced from PubChem (CID 50814385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).