N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]benzamide

C21H25FN2O2 — CID 14968315

IUPACN-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(CCCOc2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C21H25FN2O2/c22-18-7-9-20(10-8-18)26-16-4-13-24-14-11-19(12-15-24)23-21(25)17-5-2-1-3-6-17/h1-3,5-10,19H,4,11-16H2,(H,23,25)
InChIKeySKKSHJJLWQJEOP-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.49
Rot. Bonds7

About N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]benzamide

N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]benzamide (PubChem CID 14968315) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]benzamide
PubChem CID14968315
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(CCCOc2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C21H25FN2O2/c22-18-7-9-20(10-8-18)26-16-4-13-24-14-11-19(12-15-24)23-21(25)17-5-2-1-3-6-17/h1-3,5-10,19H,4,11-16H2,(H,23,25)
InChIKeySKKSHJJLWQJEOP-UHFFFAOYSA-N
XLogP3.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]benzamide (CID 14968315) is N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]benzamide is O=C(NC1CCN(CCCOc2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]benzamide?
The InChIKey is SKKSHJJLWQJEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c22-18-7-9-20(10-8-18)26-16-4-13-24-14-11-19(12-15-24)23-21(25)17-5-2-1-3-6-17/h1-3,5-10,19H,4,11-16H2,(H,23,25).
What are the key properties of N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]benzamide?
N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]benzamide has a molecular weight of 356.44 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 14968315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).