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

C20H27N3O — CID 2861965

IUPAC1-adamantyl-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2ccccn2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H27N3O/c24-19(20-12-15-9-16(13-20)11-17(10-15)14-20)23-7-5-22(6-8-23)18-3-1-2-4-21-18/h1-4,15-17H,5-14H2
InChIKeyJBJOHLQFCPGVFT-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.95
Rot. Bonds2

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

1-adamantyl-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 2861965) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-adamantyl-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1-adamantyl-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID2861965
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-adamantyl-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2ccccn2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H27N3O/c24-19(20-12-15-9-16(13-20)11-17(10-15)14-20)23-7-5-22(6-8-23)18-3-1-2-4-21-18/h1-4,15-17H,5-14H2
InChIKeyJBJOHLQFCPGVFT-UHFFFAOYSA-N
XLogP2.95
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of 1-adamantyl-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 2861965) is 1-adamantyl-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for 1-adamantyl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for 1-adamantyl-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(N1CCN(c2ccccn2)CC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is JBJOHLQFCPGVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c24-19(20-12-15-9-16(13-20)11-17(10-15)14-20)23-7-5-22(6-8-23)18-3-1-2-4-21-18/h1-4,15-17H,5-14H2.
What are the key properties of 1-adamantyl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
1-adamantyl-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 325.46 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 2861965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).