2-(1-acetylpiperidin-4-yl)-N-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]acetamide

C18H30N4O2 — CID 91911725

IUPAC2-(1-acetylpiperidin-4-yl)-N-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]acetamide
SMILESCC(=O)N1CCC(CC(=O)NCCc2ncc(C)n2C(C)C)CC1
InChIInChI=1S/C18H30N4O2/c1-13(2)22-14(3)12-20-17(22)5-8-19-18(24)11-16-6-9-21(10-7-16)15(4)23/h12-13,16H,5-11H2,1-4H3,(H,19,24)
InChIKeyOTQQCSKXKSPFBS-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.08
Rot. Bonds6

About 2-(1-acetylpiperidin-4-yl)-N-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]acetamide

2-(1-acetylpiperidin-4-yl)-N-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]acetamide (PubChem CID 91911725) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)-N-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)-N-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]acetamide
PubChem CID91911725
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name2-(1-acetylpiperidin-4-yl)-N-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]acetamide
SMILESCC(=O)N1CCC(CC(=O)NCCc2ncc(C)n2C(C)C)CC1
InChIInChI=1S/C18H30N4O2/c1-13(2)22-14(3)12-20-17(22)5-8-19-18(24)11-16-6-9-21(10-7-16)15(4)23/h12-13,16H,5-11H2,1-4H3,(H,19,24)
InChIKeyOTQQCSKXKSPFBS-UHFFFAOYSA-N
XLogP2.08
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)-N-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)-N-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]acetamide (CID 91911725) is 2-(1-acetylpiperidin-4-yl)-N-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)-N-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)-N-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]acetamide is CC(=O)N1CCC(CC(=O)NCCc2ncc(C)n2C(C)C)CC1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)-N-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]acetamide?
The InChIKey is OTQQCSKXKSPFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-13(2)22-14(3)12-20-17(22)5-8-19-18(24)11-16-6-9-21(10-7-16)15(4)23/h12-13,16H,5-11H2,1-4H3,(H,19,24).
What are the key properties of 2-(1-acetylpiperidin-4-yl)-N-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]acetamide?
2-(1-acetylpiperidin-4-yl)-N-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]acetamide has a molecular weight of 334.46 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)-N-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 91911725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).