N-[3-[(3,5-difluorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide

C24H23F2N3O2 — CID 72712053

IUPACN-[3-[(3,5-difluorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc(OCc2cc(F)cc(F)c2)c1)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C24H23F2N3O2/c25-19-12-17(13-20(26)14-19)16-31-23-3-1-2-21(15-23)28-24(30)18-6-10-29(11-7-18)22-4-8-27-9-5-22/h1-5,8-9,12-15,18H,6-7,10-11,16H2,(H,28,30)
InChIKeyZORXTJQDLSFBOA-UHFFFAOYSA-N
MW423.46 g/mol
LogP4.79
Rot. Bonds6

About N-[3-[(3,5-difluorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide

N-[3-[(3,5-difluorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 72712053) has the molecular formula C24H23F2N3O2 and a molecular weight of 423.46 g/mol. Its IUPAC name is N-[3-[(3,5-difluorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(3,5-difluorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID72712053
Molecular FormulaC24H23F2N3O2
Molecular Weight423.46 g/mol
Exact Mass423.18
IUPAC NameN-[3-[(3,5-difluorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc(OCc2cc(F)cc(F)c2)c1)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C24H23F2N3O2/c25-19-12-17(13-20(26)14-19)16-31-23-3-1-2-21(15-23)28-24(30)18-6-10-29(11-7-18)22-4-8-27-9-5-22/h1-5,8-9,12-15,18H,6-7,10-11,16H2,(H,28,30)
InChIKeyZORXTJQDLSFBOA-UHFFFAOYSA-N
XLogP4.79
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,5-difluorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-[3-[(3,5-difluorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide (CID 72712053) is N-[3-[(3,5-difluorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-[(3,5-difluorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-[(3,5-difluorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide is O=C(Nc1cccc(OCc2cc(F)cc(F)c2)c1)C1CCN(c2ccncc2)CC1.
What is the InChIKey of N-[3-[(3,5-difluorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is ZORXTJQDLSFBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O2/c25-19-12-17(13-20(26)14-19)16-31-23-3-1-2-21(15-23)28-24(30)18-6-10-29(11-7-18)22-4-8-27-9-5-22/h1-5,8-9,12-15,18H,6-7,10-11,16H2,(H,28,30).
What are the key properties of N-[3-[(3,5-difluorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
N-[3-[(3,5-difluorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 423.46 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,5-difluorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 72712053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).