3-(2,4-difluorophenyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide

C18H20F2N4O — CID 90648731

IUPAC3-(2,4-difluorophenyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide
SMILESO=C(CCc1ccc(F)cc1F)NC1CCCN(c2cnccn2)C1
InChIInChI=1S/C18H20F2N4O/c19-14-5-3-13(16(20)10-14)4-6-18(25)23-15-2-1-9-24(12-15)17-11-21-7-8-22-17/h3,5,7-8,10-11,15H,1-2,4,6,9,12H2,(H,23,25)
InChIKeyKYHCFUPHEUYIFK-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.47
Rot. Bonds5

About 3-(2,4-difluorophenyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide

3-(2,4-difluorophenyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide (PubChem CID 90648731) has the molecular formula C18H20F2N4O and a molecular weight of 346.38 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide
PubChem CID90648731
Molecular FormulaC18H20F2N4O
Molecular Weight346.38 g/mol
Exact Mass346.16
IUPAC Name3-(2,4-difluorophenyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide
SMILESO=C(CCc1ccc(F)cc1F)NC1CCCN(c2cnccn2)C1
InChIInChI=1S/C18H20F2N4O/c19-14-5-3-13(16(20)10-14)4-6-18(25)23-15-2-1-9-24(12-15)17-11-21-7-8-22-17/h3,5,7-8,10-11,15H,1-2,4,6,9,12H2,(H,23,25)
InChIKeyKYHCFUPHEUYIFK-UHFFFAOYSA-N
XLogP2.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,4-difluorophenyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,3-benzodioxol-5-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide
CID 77087086
N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide
CID 99971826
2-(2,5-dioxoimidazolidin-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
CID 77096885
N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 99981987
4-[3-(2,4-difluorophenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 162632420
2-(2-oxoazepan-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
CID 118782684
N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide
CID 99990589
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
CID 90653061
3-[3-(4-fluorophenoxy)phenyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621306
3-(2-aminoethoxy)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
CID 126433211
1-[(3S)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one
CID 25460368
(3S)-N-methyl-1-pyrazin-2-ylpiperidin-3-amine
CID 94476433

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide?
The IUPAC name of 3-(2,4-difluorophenyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide (CID 90648731) is 3-(2,4-difluorophenyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide.
What is the SMILES notation for 3-(2,4-difluorophenyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide?
The canonical SMILES for 3-(2,4-difluorophenyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide is O=C(CCc1ccc(F)cc1F)NC1CCCN(c2cnccn2)C1.
What is the InChIKey of 3-(2,4-difluorophenyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide?
The InChIKey is KYHCFUPHEUYIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O/c19-14-5-3-13(16(20)10-14)4-6-18(25)23-15-2-1-9-24(12-15)17-11-21-7-8-22-17/h3,5,7-8,10-11,15H,1-2,4,6,9,12H2,(H,23,25).
What are the key properties of 3-(2,4-difluorophenyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide?
3-(2,4-difluorophenyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide has a molecular weight of 346.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide is sourced from PubChem (CID 90648731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).