2-adamantyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

C19H28N4O — CID 120877844

IUPAC2-adamantyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCn1ccnc1C1CNCCN1C(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H28N4O/c1-22-4-3-21-18(22)16-11-20-2-5-23(16)19(24)17-14-7-12-6-13(9-14)10-15(17)8-12/h3-4,12-17,20H,2,5-11H2,1H3
InChIKeyPUHUANCNPNZROP-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.97
Rot. Bonds2

About 2-adamantyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

2-adamantyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (PubChem CID 120877844) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-adamantyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name2-adamantyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
PubChem CID120877844
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name2-adamantyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCn1ccnc1C1CNCCN1C(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H28N4O/c1-22-4-3-21-18(22)16-11-20-2-5-23(16)19(24)17-14-7-12-6-13(9-14)10-15(17)8-12/h3-4,12-17,20H,2,5-11H2,1H3
InChIKeyPUHUANCNPNZROP-UHFFFAOYSA-N
XLogP1.97
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bicyclo[3.1.0]hexanyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880027
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 120879634
cyclooctyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120879549
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyrazol-1-ylethanone;dihydrochloride
CID 120879343
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912
2-methyl-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-methylsulfanylpropan-1-one;hydrochloride
CID 120880079
(3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880230
imidazo[1,2-a]pyrazin-8-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120878426
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120879273
2-cyclopentyloxy-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 120878784
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120878927
2-(diethylamino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butan-1-one
CID 120880014

Frequently Asked Questions

What is the IUPAC name of 2-adamantyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of 2-adamantyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (CID 120877844) is 2-adamantyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for 2-adamantyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for 2-adamantyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is Cn1ccnc1C1CNCCN1C(=O)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-adamantyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is PUHUANCNPNZROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-22-4-3-21-18(22)16-11-20-2-5-23(16)19(24)17-14-7-12-6-13(9-14)10-15(17)8-12/h3-4,12-17,20H,2,5-11H2,1H3.
What are the key properties of 2-adamantyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
2-adamantyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 328.46 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 120877844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).