1-adamantyl-[(2R)-2-methyl-4-pyrazin-2-ylpiperazin-1-yl]methanone

C20H28N4O — CID 71682959

IUPAC1-adamantyl-[(2R)-2-methyl-4-pyrazin-2-ylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(c2cnccn2)CCN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H28N4O/c1-14-13-23(18-12-21-2-3-22-18)4-5-24(14)19(25)20-9-15-6-16(10-20)8-17(7-15)11-20/h2-3,12,14-17H,4-11,13H2,1H3/t14-,15?,16?,17?,20?/m1/s1
InChIKeyPPMPVGYSGJQRGN-ZIUDEIKKSA-N
MW340.47 g/mol
LogP2.73
Rot. Bonds2

About 1-adamantyl-[(2R)-2-methyl-4-pyrazin-2-ylpiperazin-1-yl]methanone

1-adamantyl-[(2R)-2-methyl-4-pyrazin-2-ylpiperazin-1-yl]methanone (PubChem CID 71682959) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-adamantyl-[(2R)-2-methyl-4-pyrazin-2-ylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name1-adamantyl-[(2R)-2-methyl-4-pyrazin-2-ylpiperazin-1-yl]methanone
PubChem CID71682959
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name1-adamantyl-[(2R)-2-methyl-4-pyrazin-2-ylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(c2cnccn2)CCN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H28N4O/c1-14-13-23(18-12-21-2-3-22-18)4-5-24(14)19(25)20-9-15-6-16(10-20)8-17(7-15)11-20/h2-3,12,14-17H,4-11,13H2,1H3/t14-,15?,16?,17?,20?/m1/s1
InChIKeyPPMPVGYSGJQRGN-ZIUDEIKKSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3aR,6aS)-2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-adamantyl)methanone
CID 72163582
1-Adamantyl-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023059
N-methyl-N-[(1-methylimidazol-2-yl)methyl]adamantane-1-carboxamide
CID 71458595
1-adamantyl-[(3R)-3-methyl-4-pyrazin-2-ylpiperazin-1-yl]methanone
CID 71682960
Cyclopentyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone
CID 95042953
Cyclohexyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone
CID 97393884
2-(1-Adamantanyl)-1-[4-(1-ethyl-2-imidazolyl)-1-piperazinyl]-1-ethanone
CID 25284958
2-(adamantan-1-yl)-1-[4-(1-methyl-1H-imidazol-2-yl)piperazin-1-yl]ethan-1-one hydrochloride
CID 45284178
2-((3r,5r,7r)-adamantan-1-yl)-1-(4-(1-ethyl-1H-imidazol-2-yl)piperazin-1-yl)ethanone hydrochloride
CID 45284247
N-(Pyrazin-2-yl)adamantane-1-carboxamide
CID 10199027
2-(Cyclohexylmethyl)-1-[2-[1-(3-fluoropyrazin-2-yl)pyrrolidin-2-yl]piperidin-1-yl]pentan-1-one
CID 166318942
(5,5-Difluoro-2,2-dimethylcyclohexyl)-[4-[1-(5-fluoropyrazin-2-yl)piperidin-3-yl]piperidin-1-yl]methanone
CID 166318945

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[(2R)-2-methyl-4-pyrazin-2-ylpiperazin-1-yl]methanone?
The IUPAC name of 1-adamantyl-[(2R)-2-methyl-4-pyrazin-2-ylpiperazin-1-yl]methanone (CID 71682959) is 1-adamantyl-[(2R)-2-methyl-4-pyrazin-2-ylpiperazin-1-yl]methanone.
What is the SMILES notation for 1-adamantyl-[(2R)-2-methyl-4-pyrazin-2-ylpiperazin-1-yl]methanone?
The canonical SMILES for 1-adamantyl-[(2R)-2-methyl-4-pyrazin-2-ylpiperazin-1-yl]methanone is C[C@@H]1CN(c2cnccn2)CCN1C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-[(2R)-2-methyl-4-pyrazin-2-ylpiperazin-1-yl]methanone?
The InChIKey is PPMPVGYSGJQRGN-ZIUDEIKKSA-N. The full InChI is InChI=1S/C20H28N4O/c1-14-13-23(18-12-21-2-3-22-18)4-5-24(14)19(25)20-9-15-6-16(10-20)8-17(7-15)11-20/h2-3,12,14-17H,4-11,13H2,1H3/t14-,15?,16?,17?,20?/m1/s1.
What are the key properties of 1-adamantyl-[(2R)-2-methyl-4-pyrazin-2-ylpiperazin-1-yl]methanone?
1-adamantyl-[(2R)-2-methyl-4-pyrazin-2-ylpiperazin-1-yl]methanone has a molecular weight of 340.47 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[(2R)-2-methyl-4-pyrazin-2-ylpiperazin-1-yl]methanone is sourced from PubChem (CID 71682959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).