1-[2-[4-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone

C17H24N4O2 — CID 127246223

IUPAC1-[2-[4-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1C(=O)N1CCC(c2cncc(C)n2)CC1
InChIInChI=1S/C17H24N4O2/c1-12-10-18-11-15(19-12)14-5-8-20(9-6-14)17(23)16-4-3-7-21(16)13(2)22/h10-11,14,16H,3-9H2,1-2H3
InChIKeyGXPVXOCTBIRCIV-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.50
Rot. Bonds2

About 1-[2-[4-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone

1-[2-[4-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone (PubChem CID 127246223) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[2-[4-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[4-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
PubChem CID127246223
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name1-[2-[4-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1C(=O)N1CCC(c2cncc(C)n2)CC1
InChIInChI=1S/C17H24N4O2/c1-12-10-18-11-15(19-12)14-5-8-20(9-6-14)17(23)16-4-3-7-21(16)13(2)22/h10-11,14,16H,3-9H2,1-2H3
InChIKeyGXPVXOCTBIRCIV-UHFFFAOYSA-N
XLogP1.50
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[4-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone (CID 127246223) is 1-[2-[4-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[4-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[4-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1C(=O)N1CCC(c2cncc(C)n2)CC1.
What is the InChIKey of 1-[2-[4-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The InChIKey is GXPVXOCTBIRCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12-10-18-11-15(19-12)14-5-8-20(9-6-14)17(23)16-4-3-7-21(16)13(2)22/h10-11,14,16H,3-9H2,1-2H3.
What are the key properties of 1-[2-[4-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
1-[2-[4-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone has a molecular weight of 316.40 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 127246223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).