1-[4-(2-methylpyrimidine-4-carbonyl)piperazin-1-yl]ethanone

C12H16N4O2 — CID 47255982

IUPAC1-[4-(2-methylpyrimidine-4-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccnc(C)n2)CC1
InChIInChI=1S/C12H16N4O2/c1-9-13-4-3-11(14-9)12(18)16-7-5-15(6-8-16)10(2)17/h3-4H,5-8H2,1-2H3
InChIKeyVKPQPTURIWCDHK-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.09
Rot. Bonds1

About 1-[4-(2-methylpyrimidine-4-carbonyl)piperazin-1-yl]ethanone

1-[4-(2-methylpyrimidine-4-carbonyl)piperazin-1-yl]ethanone (PubChem CID 47255982) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-[4-(2-methylpyrimidine-4-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-methylpyrimidine-4-carbonyl)piperazin-1-yl]ethanone
PubChem CID47255982
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name1-[4-(2-methylpyrimidine-4-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccnc(C)n2)CC1
InChIInChI=1S/C12H16N4O2/c1-9-13-4-3-11(14-9)12(18)16-7-5-15(6-8-16)10(2)17/h3-4H,5-8H2,1-2H3
InChIKeyVKPQPTURIWCDHK-UHFFFAOYSA-N
XLogP0.09
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpyrimidine-4-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-methylpyrimidine-4-carbonyl)piperazin-1-yl]ethanone (CID 47255982) is 1-[4-(2-methylpyrimidine-4-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-methylpyrimidine-4-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-methylpyrimidine-4-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccnc(C)n2)CC1.
What is the InChIKey of 1-[4-(2-methylpyrimidine-4-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is VKPQPTURIWCDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-9-13-4-3-11(14-9)12(18)16-7-5-15(6-8-16)10(2)17/h3-4H,5-8H2,1-2H3.
What are the key properties of 1-[4-(2-methylpyrimidine-4-carbonyl)piperazin-1-yl]ethanone?
1-[4-(2-methylpyrimidine-4-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 248.29 g/mol, XLogP of 0.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpyrimidine-4-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 47255982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).