4-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxamide

C17H18FN3O2 — CID 133454831

IUPAC4-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C17H18FN3O2/c18-12-1-3-13(4-2-12)23-14-6-9-21(10-7-14)16-5-8-20-11-15(16)17(19)22/h1-5,8,11,14H,6-7,9-10H2,(H2,19,22)
InChIKeyJTJHZHMMWGHWBS-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.37
Rot. Bonds4

About 4-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxamide

4-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 133454831) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 4-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxamide
PubChem CID133454831
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name4-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C17H18FN3O2/c18-12-1-3-13(4-2-12)23-14-6-9-21(10-7-14)16-5-8-20-11-15(16)17(19)22/h1-5,8,11,14H,6-7,9-10H2,(H2,19,22)
InChIKeyJTJHZHMMWGHWBS-UHFFFAOYSA-N
XLogP2.37
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 4-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxamide (CID 133454831) is 4-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxamide is NC(=O)c1cnccc1N1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is JTJHZHMMWGHWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-12-1-3-13(4-2-12)23-14-6-9-21(10-7-14)16-5-8-20-11-15(16)17(19)22/h1-5,8,11,14H,6-7,9-10H2,(H2,19,22).
What are the key properties of 4-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxamide?
4-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133454831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).