benzyl 4-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-1-carboxylate

C22H24FNO3 — CID 57210991

IUPACbenzyl 4-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-1-carboxylate
SMILESO=C(CCC1CCN(C(=O)OCc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H24FNO3/c23-20-9-7-19(8-10-20)21(25)11-6-17-12-14-24(15-13-17)22(26)27-16-18-4-2-1-3-5-18/h1-5,7-10,17H,6,11-16H2
InChIKeyLQLXBVIFOMGKKZ-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.84
Rot. Bonds6

About benzyl 4-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-1-carboxylate

benzyl 4-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-1-carboxylate (PubChem CID 57210991) has the molecular formula C22H24FNO3 and a molecular weight of 369.44 g/mol. Its IUPAC name is benzyl 4-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-1-carboxylate
PubChem CID57210991
Molecular FormulaC22H24FNO3
Molecular Weight369.44 g/mol
Exact Mass369.17
IUPAC Namebenzyl 4-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-1-carboxylate
SMILESO=C(CCC1CCN(C(=O)OCc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H24FNO3/c23-20-9-7-19(8-10-20)21(25)11-6-17-12-14-24(15-13-17)22(26)27-16-18-4-2-1-3-5-18/h1-5,7-10,17H,6,11-16H2
InChIKeyLQLXBVIFOMGKKZ-UHFFFAOYSA-N
XLogP4.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-1-carboxylate (CID 57210991) is benzyl 4-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-1-carboxylate is O=C(CCC1CCN(C(=O)OCc2ccccc2)CC1)c1ccc(F)cc1.
What is the InChIKey of benzyl 4-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-1-carboxylate?
The InChIKey is LQLXBVIFOMGKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO3/c23-20-9-7-19(8-10-20)21(25)11-6-17-12-14-24(15-13-17)22(26)27-16-18-4-2-1-3-5-18/h1-5,7-10,17H,6,11-16H2.
What are the key properties of benzyl 4-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-1-carboxylate?
benzyl 4-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-1-carboxylate has a molecular weight of 369.44 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-1-carboxylate is sourced from PubChem (CID 57210991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).