1-[4-[(6-pyrrolidin-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone

C16H24N4O — CID 95824820

IUPAC1-[4-[(6-pyrrolidin-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2cncc(N3CCCC3)n2)CC1
InChIInChI=1S/C16H24N4O/c1-13(21)19-8-4-14(5-9-19)10-15-11-17-12-16(18-15)20-6-2-3-7-20/h11-12,14H,2-10H2,1H3
InChIKeyVZTFLVGJSBRSEW-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.88
Rot. Bonds3

About 1-[4-[(6-pyrrolidin-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone

1-[4-[(6-pyrrolidin-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 95824820) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[4-[(6-pyrrolidin-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(6-pyrrolidin-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
PubChem CID95824820
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-[4-[(6-pyrrolidin-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2cncc(N3CCCC3)n2)CC1
InChIInChI=1S/C16H24N4O/c1-13(21)19-8-4-14(5-9-19)10-15-11-17-12-16(18-15)20-6-2-3-7-20/h11-12,14H,2-10H2,1H3
InChIKeyVZTFLVGJSBRSEW-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(6-pyrrolidin-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-pyrrolidin-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(6-pyrrolidin-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone (CID 95824820) is 1-[4-[(6-pyrrolidin-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(6-pyrrolidin-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(6-pyrrolidin-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(Cc2cncc(N3CCCC3)n2)CC1.
What is the InChIKey of 1-[4-[(6-pyrrolidin-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is VZTFLVGJSBRSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-13(21)19-8-4-14(5-9-19)10-15-11-17-12-16(18-15)20-6-2-3-7-20/h11-12,14H,2-10H2,1H3.
What are the key properties of 1-[4-[(6-pyrrolidin-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone?
1-[4-[(6-pyrrolidin-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 288.39 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-pyrrolidin-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95824820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).