6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide

C16H17FN4O2 — CID 133345869

IUPAC6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(N2CCC(Oc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C16H17FN4O2/c17-11-1-3-12(4-2-11)23-13-5-7-21(8-6-13)15-10-19-9-14(20-15)16(18)22/h1-4,9-10,13H,5-8H2,(H2,18,22)
InChIKeyHJJRSLXJHRRPML-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.76
Rot. Bonds4

About 6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide

6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide (PubChem CID 133345869) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide
PubChem CID133345869
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(N2CCC(Oc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C16H17FN4O2/c17-11-1-3-12(4-2-11)23-13-5-7-21(8-6-13)15-10-19-9-14(20-15)16(18)22/h1-4,9-10,13H,5-8H2,(H2,18,22)
InChIKeyHJJRSLXJHRRPML-UHFFFAOYSA-N
XLogP1.76
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(2-chlorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide
CID 133391003
4-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxamide
CID 133454831
[6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133345853
6-[4-(phenylcarbamoyl)piperidin-1-yl]pyrazine-2-carboxamide
CID 133358652
[(1R,2S)-2-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 124699020
4-[4-(4-fluorophenoxy)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 133345860
trans-(1R,2R)-2-[4-(4-fluorophenoxy)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125119735
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
cis-(1R,3S)-3-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065602
6-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 166861204
2-cyclohexyloxy-6-[4-[(6-fluoro-3-pyridinyl)oxy]piperidin-1-yl]pyrazine
CID 154839646
[4-(4-fluorophenoxy)piperidin-1-yl]-(2-piperidin-1-ylpyrimidin-5-yl)methanone
CID 46971656

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of 6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide (CID 133345869) is 6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for 6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide is NC(=O)c1cncc(N2CCC(Oc3ccc(F)cc3)CC2)n1.
What is the InChIKey of 6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide?
The InChIKey is HJJRSLXJHRRPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c17-11-1-3-12(4-2-11)23-13-5-7-21(8-6-13)15-10-19-9-14(20-15)16(18)22/h1-4,9-10,13H,5-8H2,(H2,18,22).
What are the key properties of 6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide?
6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 316.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 133345869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).