N-[3-[[4-(3-fluorophenyl)phenyl]methoxy]phenyl]piperidine-4-carboxamide;hydrochloride

C25H26ClFN2O2 — CID 25224295

IUPACN-[3-[[4-(3-fluorophenyl)phenyl]methoxy]phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(OCc2ccc(-c3cccc(F)c3)cc2)c1)C1CCNCC1
InChIInChI=1S/C25H25FN2O2.ClH/c26-22-4-1-3-21(15-22)19-9-7-18(8-10-19)17-30-24-6-2-5-23(16-24)28-25(29)20-11-13-27-14-12-20;/h1-10,15-16,20,27H,11-14,17H2,(H,28,29);1H
InChIKeyOMYUNKUVPWHOGU-UHFFFAOYSA-N
MW440.95 g/mol
LogP5.43
Rot. Bonds6

About N-[3-[[4-(3-fluorophenyl)phenyl]methoxy]phenyl]piperidine-4-carboxamide;hydrochloride

N-[3-[[4-(3-fluorophenyl)phenyl]methoxy]phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 25224295) has the molecular formula C25H26ClFN2O2 and a molecular weight of 440.95 g/mol. Its IUPAC name is N-[3-[[4-(3-fluorophenyl)phenyl]methoxy]phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[[4-(3-fluorophenyl)phenyl]methoxy]phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID25224295
Molecular FormulaC25H26ClFN2O2
Molecular Weight440.95 g/mol
Exact Mass440.17
IUPAC NameN-[3-[[4-(3-fluorophenyl)phenyl]methoxy]phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(OCc2ccc(-c3cccc(F)c3)cc2)c1)C1CCNCC1
InChIInChI=1S/C25H25FN2O2.ClH/c26-22-4-1-3-21(15-22)19-9-7-18(8-10-19)17-30-24-6-2-5-23(16-24)28-25(29)20-11-13-27-14-12-20;/h1-10,15-16,20,27H,11-14,17H2,(H,28,29);1H
InChIKeyOMYUNKUVPWHOGU-UHFFFAOYSA-N
XLogP5.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.95
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(3-fluorophenyl)phenyl]methoxy]phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-[[4-(3-fluorophenyl)phenyl]methoxy]phenyl]piperidine-4-carboxamide;hydrochloride (CID 25224295) is N-[3-[[4-(3-fluorophenyl)phenyl]methoxy]phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[[4-(3-fluorophenyl)phenyl]methoxy]phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[[4-(3-fluorophenyl)phenyl]methoxy]phenyl]piperidine-4-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(OCc2ccc(-c3cccc(F)c3)cc2)c1)C1CCNCC1.
What is the InChIKey of N-[3-[[4-(3-fluorophenyl)phenyl]methoxy]phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is OMYUNKUVPWHOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O2.ClH/c26-22-4-1-3-21(15-22)19-9-7-18(8-10-19)17-30-24-6-2-5-23(16-24)28-25(29)20-11-13-27-14-12-20;/h1-10,15-16,20,27H,11-14,17H2,(H,28,29);1H.
What are the key properties of N-[3-[[4-(3-fluorophenyl)phenyl]methoxy]phenyl]piperidine-4-carboxamide;hydrochloride?
N-[3-[[4-(3-fluorophenyl)phenyl]methoxy]phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 440.95 g/mol, XLogP of 5.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(3-fluorophenyl)phenyl]methoxy]phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 25224295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).