5-[2-(1-adamantyl)ethyl]-2-piperidin-2-yl-1H-imidazole-4-carboxamide

C21H32N4O — CID 141021575

IUPAC5-[2-(1-adamantyl)ethyl]-2-piperidin-2-yl-1H-imidazole-4-carboxamide
SMILESNC(=O)c1nc(C2CCCCN2)[nH]c1CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H32N4O/c22-19(26)18-16(24-20(25-18)17-3-1-2-6-23-17)4-5-21-10-13-7-14(11-21)9-15(8-13)12-21/h13-15,17,23H,1-12H2,(H2,22,26)(H,24,25)
InChIKeyYDHGXEVGVRTORE-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.47
Rot. Bonds5

About 5-[2-(1-adamantyl)ethyl]-2-piperidin-2-yl-1H-imidazole-4-carboxamide

5-[2-(1-adamantyl)ethyl]-2-piperidin-2-yl-1H-imidazole-4-carboxamide (PubChem CID 141021575) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is 5-[2-(1-adamantyl)ethyl]-2-piperidin-2-yl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-(1-adamantyl)ethyl]-2-piperidin-2-yl-1H-imidazole-4-carboxamide
PubChem CID141021575
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name5-[2-(1-adamantyl)ethyl]-2-piperidin-2-yl-1H-imidazole-4-carboxamide
SMILESNC(=O)c1nc(C2CCCCN2)[nH]c1CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H32N4O/c22-19(26)18-16(24-20(25-18)17-3-1-2-6-23-17)4-5-21-10-13-7-14(11-21)9-15(8-13)12-21/h13-15,17,23H,1-12H2,(H2,22,26)(H,24,25)
InChIKeyYDHGXEVGVRTORE-UHFFFAOYSA-N
XLogP3.47
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-adamantyl)ethyl]-2-piperidin-2-yl-1H-imidazole-4-carboxamide?
The IUPAC name of 5-[2-(1-adamantyl)ethyl]-2-piperidin-2-yl-1H-imidazole-4-carboxamide (CID 141021575) is 5-[2-(1-adamantyl)ethyl]-2-piperidin-2-yl-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-[2-(1-adamantyl)ethyl]-2-piperidin-2-yl-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-[2-(1-adamantyl)ethyl]-2-piperidin-2-yl-1H-imidazole-4-carboxamide is NC(=O)c1nc(C2CCCCN2)[nH]c1CCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 5-[2-(1-adamantyl)ethyl]-2-piperidin-2-yl-1H-imidazole-4-carboxamide?
The InChIKey is YDHGXEVGVRTORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c22-19(26)18-16(24-20(25-18)17-3-1-2-6-23-17)4-5-21-10-13-7-14(11-21)9-15(8-13)12-21/h13-15,17,23H,1-12H2,(H2,22,26)(H,24,25).
What are the key properties of 5-[2-(1-adamantyl)ethyl]-2-piperidin-2-yl-1H-imidazole-4-carboxamide?
5-[2-(1-adamantyl)ethyl]-2-piperidin-2-yl-1H-imidazole-4-carboxamide has a molecular weight of 356.51 g/mol, XLogP of 3.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-adamantyl)ethyl]-2-piperidin-2-yl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 141021575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).