1-cyclopentyl-4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-5-one

C18H25FN2O2 — CID 42463040

IUPAC1-cyclopentyl-4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-5-one
SMILESO=C1CCN(C2CCCC2)CCN1CCOc1ccc(F)cc1
InChIInChI=1S/C18H25FN2O2/c19-15-5-7-17(8-6-15)23-14-13-21-12-11-20(10-9-18(21)22)16-3-1-2-4-16/h5-8,16H,1-4,9-14H2
InChIKeyOHTLGSPGBSFIHO-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.68
Rot. Bonds5

About 1-cyclopentyl-4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-5-one

1-cyclopentyl-4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-5-one (PubChem CID 42463040) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-cyclopentyl-4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-5-one
PubChem CID42463040
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name1-cyclopentyl-4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-5-one
SMILESO=C1CCN(C2CCCC2)CCN1CCOc1ccc(F)cc1
InChIInChI=1S/C18H25FN2O2/c19-15-5-7-17(8-6-15)23-14-13-21-12-11-20(10-9-18(21)22)16-3-1-2-4-16/h5-8,16H,1-4,9-14H2
InChIKeyOHTLGSPGBSFIHO-UHFFFAOYSA-N
XLogP2.68
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-fluorophenoxy)ethyl]-5-(3-hydroxypiperidin-1-yl)azepan-2-one
CID 45184997
4-[2-(4-fluorophenoxy)ethyl]-1,4-oxazepan-5-one
CID 72940136
1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94711360
4-[2-(4-fluorophenoxy)ethyl]-1-[2-(2-methylphenyl)acetyl]-1,4-diazepan-5-one
CID 26324569
1-cyclopentyl-4-(cyclopropylmethyl)-1,4-diazepan-5-one
CID 26344581
5-(3-oxo-4-phenylpiperazin-1-yl)-1-(2-phenoxyethyl)azepan-2-one
CID 126463940
1-(2-phenoxyethyl)azepan-2-one
CID 10513813
1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one
CID 94702209
4-[(2-chlorophenyl)methyl]-1-cyclopentyl-1,4-diazepan-5-one
CID 42168054
1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-one
CID 94689193
4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoate
CID 7438087
(5aS,9aR)-7-[2-(4-fluorophenoxy)ethyl]-1-methyl-3,4,5,5a,6,8,9,9a-octahydropyrido[4,3-b]azepin-2-one
CID 110123059

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-5-one?
The IUPAC name of 1-cyclopentyl-4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-5-one (CID 42463040) is 1-cyclopentyl-4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-5-one.
What is the SMILES notation for 1-cyclopentyl-4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-5-one?
The canonical SMILES for 1-cyclopentyl-4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-5-one is O=C1CCN(C2CCCC2)CCN1CCOc1ccc(F)cc1.
What is the InChIKey of 1-cyclopentyl-4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-5-one?
The InChIKey is OHTLGSPGBSFIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c19-15-5-7-17(8-6-15)23-14-13-21-12-11-20(10-9-18(21)22)16-3-1-2-4-16/h5-8,16H,1-4,9-14H2.
What are the key properties of 1-cyclopentyl-4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-5-one?
1-cyclopentyl-4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-5-one has a molecular weight of 320.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-5-one is sourced from PubChem (CID 42463040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).