N-ethyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyridine-3-carboxamide

C20H24FN3O2 — CID 133422228

IUPACN-ethyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CCC(OCc3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C20H24FN3O2/c1-2-22-20(25)16-5-8-19(23-13-16)24-11-9-18(10-12-24)26-14-15-3-6-17(21)7-4-15/h3-8,13,18H,2,9-12,14H2,1H3,(H,22,25)
InChIKeyXIOJUNYCKIADLY-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.16
Rot. Bonds6

About N-ethyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyridine-3-carboxamide

N-ethyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 133422228) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-ethyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyridine-3-carboxamide
PubChem CID133422228
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN-ethyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CCC(OCc3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C20H24FN3O2/c1-2-22-20(25)16-5-8-19(23-13-16)24-11-9-18(10-12-24)26-14-15-3-6-17(21)7-4-15/h3-8,13,18H,2,9-12,14H2,1H3,(H,22,25)
InChIKeyXIOJUNYCKIADLY-UHFFFAOYSA-N
XLogP3.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-ethyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyridine-3-carboxamide (CID 133422228) is N-ethyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyridine-3-carboxamide is CCNC(=O)c1ccc(N2CCC(OCc3ccc(F)cc3)CC2)nc1.
What is the InChIKey of N-ethyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is XIOJUNYCKIADLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-2-22-20(25)16-5-8-19(23-13-16)24-11-9-18(10-12-24)26-14-15-3-6-17(21)7-4-15/h3-8,13,18H,2,9-12,14H2,1H3,(H,22,25).
What are the key properties of N-ethyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyridine-3-carboxamide?
N-ethyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133422228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).