2-ethyl-1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]butan-1-one

C20H33N5O — CID 70702951

IUPAC2-ethyl-1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1
InChIInChI=1S/C20H33N5O/c1-4-17(5-2)19(26)24-11-13-25(14-12-24)20-21-16(3)15-18(22-20)23-9-7-6-8-10-23/h15,17H,4-14H2,1-3H3
InChIKeyFZWRETGPWCJJQI-UHFFFAOYSA-N
MW359.52 g/mol
LogP2.86
Rot. Bonds5

About 2-ethyl-1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]butan-1-one

2-ethyl-1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]butan-1-one (PubChem CID 70702951) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is 2-ethyl-1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]butan-1-one
PubChem CID70702951
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name2-ethyl-1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1
InChIInChI=1S/C20H33N5O/c1-4-17(5-2)19(26)24-11-13-25(14-12-24)20-21-16(3)15-18(22-20)23-9-7-6-8-10-23/h15,17H,4-14H2,1-3H3
InChIKeyFZWRETGPWCJJQI-UHFFFAOYSA-N
XLogP2.86
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]butan-1-one?
The IUPAC name of 2-ethyl-1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]butan-1-one (CID 70702951) is 2-ethyl-1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 2-ethyl-1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 2-ethyl-1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]butan-1-one is CCC(CC)C(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1.
What is the InChIKey of 2-ethyl-1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]butan-1-one?
The InChIKey is FZWRETGPWCJJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-4-17(5-2)19(26)24-11-13-25(14-12-24)20-21-16(3)15-18(22-20)23-9-7-6-8-10-23/h15,17H,4-14H2,1-3H3.
What are the key properties of 2-ethyl-1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]butan-1-one?
2-ethyl-1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]butan-1-one has a molecular weight of 359.52 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 70702951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).