1-(1-acetylpiperidin-4-yl)-N-[2-(dimethylamino)ethyl]-2,5-dimethylimidazole-4-carboxamide

C17H29N5O2 — CID 53181644

IUPAC1-(1-acetylpiperidin-4-yl)-N-[2-(dimethylamino)ethyl]-2,5-dimethylimidazole-4-carboxamide
SMILESCC(=O)N1CCC(n2c(C)nc(C(=O)NCCN(C)C)c2C)CC1
InChIInChI=1S/C17H29N5O2/c1-12-16(17(24)18-8-11-20(4)5)19-13(2)22(12)15-6-9-21(10-7-15)14(3)23/h15H,6-11H2,1-5H3,(H,18,24)
InChIKeyZNTVTXREZRHLLO-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.97
Rot. Bonds5

About 1-(1-acetylpiperidin-4-yl)-N-[2-(dimethylamino)ethyl]-2,5-dimethylimidazole-4-carboxamide

1-(1-acetylpiperidin-4-yl)-N-[2-(dimethylamino)ethyl]-2,5-dimethylimidazole-4-carboxamide (PubChem CID 53181644) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-N-[2-(dimethylamino)ethyl]-2,5-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-N-[2-(dimethylamino)ethyl]-2,5-dimethylimidazole-4-carboxamide
PubChem CID53181644
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name1-(1-acetylpiperidin-4-yl)-N-[2-(dimethylamino)ethyl]-2,5-dimethylimidazole-4-carboxamide
SMILESCC(=O)N1CCC(n2c(C)nc(C(=O)NCCN(C)C)c2C)CC1
InChIInChI=1S/C17H29N5O2/c1-12-16(17(24)18-8-11-20(4)5)19-13(2)22(12)15-6-9-21(10-7-15)14(3)23/h15H,6-11H2,1-5H3,(H,18,24)
InChIKeyZNTVTXREZRHLLO-UHFFFAOYSA-N
XLogP0.97
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-N-[2-(dimethylamino)ethyl]-2,5-dimethylimidazole-4-carboxamide?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-N-[2-(dimethylamino)ethyl]-2,5-dimethylimidazole-4-carboxamide (CID 53181644) is 1-(1-acetylpiperidin-4-yl)-N-[2-(dimethylamino)ethyl]-2,5-dimethylimidazole-4-carboxamide.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-N-[2-(dimethylamino)ethyl]-2,5-dimethylimidazole-4-carboxamide?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-N-[2-(dimethylamino)ethyl]-2,5-dimethylimidazole-4-carboxamide is CC(=O)N1CCC(n2c(C)nc(C(=O)NCCN(C)C)c2C)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-N-[2-(dimethylamino)ethyl]-2,5-dimethylimidazole-4-carboxamide?
The InChIKey is ZNTVTXREZRHLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-12-16(17(24)18-8-11-20(4)5)19-13(2)22(12)15-6-9-21(10-7-15)14(3)23/h15H,6-11H2,1-5H3,(H,18,24).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-N-[2-(dimethylamino)ethyl]-2,5-dimethylimidazole-4-carboxamide?
1-(1-acetylpiperidin-4-yl)-N-[2-(dimethylamino)ethyl]-2,5-dimethylimidazole-4-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-N-[2-(dimethylamino)ethyl]-2,5-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 53181644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).