N-(2-fluorophenyl)-2-{3-[(pyrazin-2-yloxy)methyl]piperidin-1-yl}acetamide

C18H21FN4O2 — CID 163357192

IUPACN-(2-fluorophenyl)-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]acetamide
SMILESC1CC(CN(C1)CC(=O)NC2=CC=CC=C2F)COC3=NC=CN=C3
InChIInChI=1S/C18H21FN4O2/c19-15-5-1-2-6-16(15)22-17(24)12-23-9-3-4-14(11-23)13-25-18-10-20-7-8-21-18/h1-2,5-8,10,14H,3-4,9,11-13H2,(H,22,24)
InChIKeyRFDQXKWJDCZZPB-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.90
Rot. Bonds6

About N-(2-fluorophenyl)-2-{3-[(pyrazin-2-yloxy)methyl]piperidin-1-yl}acetamide

N-(2-fluorophenyl)-2-{3-[(pyrazin-2-yloxy)methyl]piperidin-1-yl}acetamide (PubChem CID 163357192) has the molecular formula C18H21FN4O2 and a molecular weight of 344.40 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-{3-[(pyrazin-2-yloxy)methyl]piperidin-1-yl}acetamide
PubChem CID163357192
Molecular FormulaC18H21FN4O2
Molecular Weight344.40 g/mol
Exact Mass344.16
IUPAC NameN-(2-fluorophenyl)-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]acetamide
SMILESC1CC(CN(C1)CC(=O)NC2=CC=CC=C2F)COC3=NC=CN=C3
InChIInChI=1S/C18H21FN4O2/c19-15-5-1-2-6-16(15)22-17(24)12-23-9-3-4-14(11-23)13-25-18-10-20-7-8-21-18/h1-2,5-8,10,14H,3-4,9,11-13H2,(H,22,24)
InChIKeyRFDQXKWJDCZZPB-UHFFFAOYSA-N
XLogP1.90
TPSA67.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity426

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-{3-[(pyrazin-2-yloxy)methyl]piperidin-1-yl}acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-{3-[(pyrazin-2-yloxy)methyl]piperidin-1-yl}acetamide (CID 163357192) is N-(2-fluorophenyl)-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-{3-[(pyrazin-2-yloxy)methyl]piperidin-1-yl}acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-{3-[(pyrazin-2-yloxy)methyl]piperidin-1-yl}acetamide is C1CC(CN(C1)CC(=O)NC2=CC=CC=C2F)COC3=NC=CN=C3.
What is the InChIKey of N-(2-fluorophenyl)-2-{3-[(pyrazin-2-yloxy)methyl]piperidin-1-yl}acetamide?
The InChIKey is RFDQXKWJDCZZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c19-15-5-1-2-6-16(15)22-17(24)12-23-9-3-4-14(11-23)13-25-18-10-20-7-8-21-18/h1-2,5-8,10,14H,3-4,9,11-13H2,(H,22,24).
What are the key properties of N-(2-fluorophenyl)-2-{3-[(pyrazin-2-yloxy)methyl]piperidin-1-yl}acetamide?
N-(2-fluorophenyl)-2-{3-[(pyrazin-2-yloxy)methyl]piperidin-1-yl}acetamide has a molecular weight of 344.40 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-{3-[(pyrazin-2-yloxy)methyl]piperidin-1-yl}acetamide is sourced from PubChem (CID 163357192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).