4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,4-diazepan-2-one

C22H26FN3O — CID 30957525

IUPAC4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,4-diazepan-2-one
SMILESO=C1CN(C2CCN(c3cccc(-c4ccc(F)cc4)c3)CC2)CCCN1
InChIInChI=1S/C22H26FN3O/c23-19-7-5-17(6-8-19)18-3-1-4-21(15-18)25-13-9-20(10-14-25)26-12-2-11-24-22(27)16-26/h1,3-8,15,20H,2,9-14,16H2,(H,24,27)
InChIKeyRECWLIXPKVKDIA-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.28
Rot. Bonds3

About 4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,4-diazepan-2-one

4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,4-diazepan-2-one (PubChem CID 30957525) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,4-diazepan-2-one
PubChem CID30957525
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,4-diazepan-2-one
SMILESO=C1CN(C2CCN(c3cccc(-c4ccc(F)cc4)c3)CC2)CCCN1
InChIInChI=1S/C22H26FN3O/c23-19-7-5-17(6-8-19)18-3-1-4-21(15-18)25-13-9-20(10-14-25)26-12-2-11-24-22(27)16-26/h1,3-8,15,20H,2,9-14,16H2,(H,24,27)
InChIKeyRECWLIXPKVKDIA-UHFFFAOYSA-N
XLogP3.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]piperazin-1-yl]ethanol
CID 56854779
4-cyclopentyl-1,4-diazepan-2-one
CID 117005235
4-[4-(methylamino)cyclohexyl]-1,4-diazepan-2-one
CID 114763400
1-[3-(4-fluorophenyl)phenyl]-N-(oxolan-2-ylmethyl)piperidin-4-amine
CID 45177170
4-[1-[(2-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]-1,4-diazepan-2-one
CID 71137776
1-[3-(3-fluorophenyl)phenyl]piperazine
CID 82088997
4-(3-pyrrolidin-1-ylphenyl)benzonitrile
CID 168513837
4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazol-5-amine
CID 68943222
(3R)-1-[1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]piperidine-3-carboxamide
CID 31073994
1-[1-(4-fluorophenyl)piperidin-4-yl]imidazolidin-2-one
CID 68820432
N-[3-(4-fluorophenyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 72931917
2-[3-(4-fluorophenyl)phenyl]isoindole-1,3-dione
CID 168517354

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,4-diazepan-2-one?
The IUPAC name of 4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,4-diazepan-2-one (CID 30957525) is 4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,4-diazepan-2-one.
What is the SMILES notation for 4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,4-diazepan-2-one?
The canonical SMILES for 4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,4-diazepan-2-one is O=C1CN(C2CCN(c3cccc(-c4ccc(F)cc4)c3)CC2)CCCN1.
What is the InChIKey of 4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,4-diazepan-2-one?
The InChIKey is RECWLIXPKVKDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c23-19-7-5-17(6-8-19)18-3-1-4-21(15-18)25-13-9-20(10-14-25)26-12-2-11-24-22(27)16-26/h1,3-8,15,20H,2,9-14,16H2,(H,24,27).
What are the key properties of 4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,4-diazepan-2-one?
4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,4-diazepan-2-one has a molecular weight of 367.47 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,4-diazepan-2-one is sourced from PubChem (CID 30957525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).