1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide

C18H24N4O2S — CID 53181631

IUPAC1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
SMILESCC(=O)N1CCC(n2c(C)nc(C(=O)NCc3cccs3)c2C)CC1
InChIInChI=1S/C18H24N4O2S/c1-12-17(18(24)19-11-16-5-4-10-25-16)20-13(2)22(12)15-6-8-21(9-7-15)14(3)23/h4-5,10,15H,6-9,11H2,1-3H3,(H,19,24)
InChIKeyGXOXZHMHGXTXMV-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.67
Rot. Bonds4

About 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide

1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide (PubChem CID 53181631) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
PubChem CID53181631
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
SMILESCC(=O)N1CCC(n2c(C)nc(C(=O)NCc3cccs3)c2C)CC1
InChIInChI=1S/C18H24N4O2S/c1-12-17(18(24)19-11-16-5-4-10-25-16)20-13(2)22(12)15-6-8-21(9-7-15)14(3)23/h4-5,10,15H,6-9,11H2,1-3H3,(H,19,24)
InChIKeyGXOXZHMHGXTXMV-UHFFFAOYSA-N
XLogP2.67
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.67
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)-2,5-dimethyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide (CID 53181631) is 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide is CC(=O)N1CCC(n2c(C)nc(C(=O)NCc3cccs3)c2C)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide?
The InChIKey is GXOXZHMHGXTXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-12-17(18(24)19-11-16-5-4-10-25-16)20-13(2)22(12)15-6-8-21(9-7-15)14(3)23/h4-5,10,15H,6-9,11H2,1-3H3,(H,19,24).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide?
1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 2.67, 4 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)-2,5-dimethyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide is sourced from PubChem (CID 53181631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).