2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide

C15H24N4O — CID 133461511

IUPAC2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide
SMILESCCc1cc(N2CCC(CC(=O)NC)CC2)nc(C)n1
InChIInChI=1S/C15H24N4O/c1-4-13-10-14(18-11(2)17-13)19-7-5-12(6-8-19)9-15(20)16-3/h10,12H,4-9H2,1-3H3,(H,16,20)
InChIKeyQLLGZCWKNIMLIR-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.70
Rot. Bonds4

About 2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide

2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide (PubChem CID 133461511) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide
PubChem CID133461511
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide
SMILESCCc1cc(N2CCC(CC(=O)NC)CC2)nc(C)n1
InChIInChI=1S/C15H24N4O/c1-4-13-10-14(18-11(2)17-13)19-7-5-12(6-8-19)9-15(20)16-3/h10,12H,4-9H2,1-3H3,(H,16,20)
InChIKeyQLLGZCWKNIMLIR-UHFFFAOYSA-N
XLogP1.70
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(ethoxymethyl)piperidin-1-yl]-6-ethyl-2-methylpyrimidine
CID 133460751
(3R)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 97055767
N-[2-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]ethyl]acetamide
CID 56710970
N-[(1R)-1-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]ethyl]-2-methylpyrimidine-4-carboxamide
CID 138048923
2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylacetamide
CID 133442555
2-[1-[6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide
CID 136552980
4-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133462336
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanamine
CID 62593348
ethene;2-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 144625270
[1-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperidin-4-yl]methanol
CID 80757736
4-(2,5-dimethylpyrrolidin-1-yl)-6-ethyl-2-methylpyrimidine
CID 133472422
1-(6-ethyl-2-methylpyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106701

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide?
The IUPAC name of 2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide (CID 133461511) is 2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for 2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide is CCc1cc(N2CCC(CC(=O)NC)CC2)nc(C)n1.
What is the InChIKey of 2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide?
The InChIKey is QLLGZCWKNIMLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-13-10-14(18-11(2)17-13)19-7-5-12(6-8-19)9-15(20)16-3/h10,12H,4-9H2,1-3H3,(H,16,20).
What are the key properties of 2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide?
2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide has a molecular weight of 276.38 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 133461511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).