3-[3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide

C23H23FN4O — CID 110254810

IUPAC3-[3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide
SMILESNC(=O)c1cccc(-c2nccnc2C2CCCN(Cc3ccc(F)cc3)C2)c1
InChIInChI=1S/C23H23FN4O/c24-20-8-6-16(7-9-20)14-28-12-2-5-19(15-28)22-21(26-10-11-27-22)17-3-1-4-18(13-17)23(25)29/h1,3-4,6-11,13,19H,2,5,12,14-15H2,(H2,25,29)
InChIKeyKHMFNGYMNOTZDX-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.76
Rot. Bonds5

About 3-[3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide

3-[3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide (PubChem CID 110254810) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is 3-[3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name3-[3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide
PubChem CID110254810
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name3-[3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide
SMILESNC(=O)c1cccc(-c2nccnc2C2CCCN(Cc3ccc(F)cc3)C2)c1
InChIInChI=1S/C23H23FN4O/c24-20-8-6-16(7-9-20)14-28-12-2-5-19(15-28)22-21(26-10-11-27-22)17-3-1-4-18(13-17)23(25)29/h1,3-4,6-11,13,19H,2,5,12,14-15H2,(H2,25,29)
InChIKeyKHMFNGYMNOTZDX-UHFFFAOYSA-N
XLogP3.76
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[(3S)-1-benzylpiperidin-3-yl]pyrazin-2-yl]benzamide
CID 95818592
3-[3-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95819300
3-[3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95818755
2-(4-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95818618
3-[3-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95818967
3-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95819022
N-[3-[3-[(3R)-1-benzylpiperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
CID 95818594
3-[3-[1-(2-morpholin-4-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 110255104
3-[2-amino-4-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 110248793
3-[3-[(3R)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95819100
N-[4-[[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 95819285
3-[3-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 110255040

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide?
The IUPAC name of 3-[3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide (CID 110254810) is 3-[3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 3-[3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide?
The canonical SMILES for 3-[3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide is NC(=O)c1cccc(-c2nccnc2C2CCCN(Cc3ccc(F)cc3)C2)c1.
What is the InChIKey of 3-[3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide?
The InChIKey is KHMFNGYMNOTZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c24-20-8-6-16(7-9-20)14-28-12-2-5-19(15-28)22-21(26-10-11-27-22)17-3-1-4-18(13-17)23(25)29/h1,3-4,6-11,13,19H,2,5,12,14-15H2,(H2,25,29).
What are the key properties of 3-[3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide?
3-[3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide has a molecular weight of 390.46 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 110254810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).