2-acetamido-3-phenyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide

C21H25N5O3 — CID 654344

IUPAC2-acetamido-3-phenyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
SMILESCC(=O)NC(Cc1ccccc1)C(=O)NC1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C21H25N5O3/c1-15(27)24-18(13-16-5-3-2-4-6-16)20(28)25-17-7-11-26(12-8-17)21(29)19-14-22-9-10-23-19/h2-6,9-10,14,17-18H,7-8,11-13H2,1H3,(H,24,27)(H,25,28)
InChIKeyKWKKPWHGCJUURR-UHFFFAOYSA-N
MW395.46 g/mol
LogP0.94
Rot. Bonds6

About 2-acetamido-3-phenyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide

2-acetamido-3-phenyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide (PubChem CID 654344) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-acetamido-3-phenyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-phenyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
PubChem CID654344
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name2-acetamido-3-phenyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
SMILESCC(=O)NC(Cc1ccccc1)C(=O)NC1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C21H25N5O3/c1-15(27)24-18(13-16-5-3-2-4-6-16)20(28)25-17-7-11-26(12-8-17)21(29)19-14-22-9-10-23-19/h2-6,9-10,14,17-18H,7-8,11-13H2,1H3,(H,24,27)(H,25,28)
InChIKeyKWKKPWHGCJUURR-UHFFFAOYSA-N
XLogP0.94
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-phenyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-acetamido-3-phenyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide (CID 654344) is 2-acetamido-3-phenyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-acetamido-3-phenyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-acetamido-3-phenyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide is CC(=O)NC(Cc1ccccc1)C(=O)NC1CCN(C(=O)c2cnccn2)CC1.
What is the InChIKey of 2-acetamido-3-phenyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is KWKKPWHGCJUURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-15(27)24-18(13-16-5-3-2-4-6-16)20(28)25-17-7-11-26(12-8-17)21(29)19-14-22-9-10-23-19/h2-6,9-10,14,17-18H,7-8,11-13H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 2-acetamido-3-phenyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide?
2-acetamido-3-phenyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 395.46 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-phenyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 654344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).