1-adamantyl-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C19H26N4O — CID 42023059

IUPAC1-adamantyl-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2cnccn2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H26N4O/c24-18(19-10-14-7-15(11-19)9-16(8-14)12-19)23-5-3-22(4-6-23)17-13-20-1-2-21-17/h1-2,13-16H,3-12H2
InChIKeyMSRHQRGQCZCXRX-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.34
Rot. Bonds2

About 1-adamantyl-(4-pyrazin-2-ylpiperazin-1-yl)methanone

1-adamantyl-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 42023059) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-adamantyl-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1-adamantyl-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID42023059
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-adamantyl-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2cnccn2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H26N4O/c24-18(19-10-14-7-15(11-19)9-16(8-14)12-19)23-5-3-22(4-6-23)17-13-20-1-2-21-17/h1-2,13-16H,3-12H2
InChIKeyMSRHQRGQCZCXRX-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[4-(4-Pyrazin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
CID 44292629
[(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-[(2R)-2-methyl-4-pyrazin-2-ylpiperazin-1-yl]methanone
CID 71682959
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
[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-cyclohexylmethanone
CID 97402616
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

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of 1-adamantyl-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 42023059) is 1-adamantyl-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for 1-adamantyl-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for 1-adamantyl-(4-pyrazin-2-ylpiperazin-1-yl)methanone is O=C(N1CCN(c2cnccn2)CC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is MSRHQRGQCZCXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c24-18(19-10-14-7-15(11-19)9-16(8-14)12-19)23-5-3-22(4-6-23)17-13-20-1-2-21-17/h1-2,13-16H,3-12H2.
What are the key properties of 1-adamantyl-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
1-adamantyl-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 326.44 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 42023059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).