2-(1-adamantyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone

C23H32N2O2 — CID 9372321

IUPAC2-(1-adamantyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1cccc(N2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)c1
InChIInChI=1S/C23H32N2O2/c1-27-21-4-2-3-20(12-21)24-5-7-25(8-6-24)22(26)16-23-13-17-9-18(14-23)11-19(10-17)15-23/h2-4,12,17-19H,5-11,13-16H2,1H3
InChIKeyPSTABXRYWMUHNX-UHFFFAOYSA-N
MW368.52 g/mol
LogP3.95
Rot. Bonds4

About 2-(1-adamantyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone

2-(1-adamantyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 9372321) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 2-(1-adamantyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-adamantyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID9372321
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name2-(1-adamantyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1cccc(N2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)c1
InChIInChI=1S/C23H32N2O2/c1-27-21-4-2-3-20(12-21)24-5-7-25(8-6-24)22(26)16-23-13-17-9-18(14-23)11-19(10-17)15-23/h2-4,12,17-19H,5-11,13-16H2,1H3
InChIKeyPSTABXRYWMUHNX-UHFFFAOYSA-N
XLogP3.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(1-adamantyl)acetate
CID 9018101
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 78768997
3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 60835678
2-(cyclopropylmethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119829431
3-(4-methoxyphenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 8001578
3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 9273589
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
2-(3-fluorophenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372637
4-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzaldehyde
CID 78878555
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfanylpropan-1-one
CID 31912861
2-(2-methoxyethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119829459

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1-adamantyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone (CID 9372321) is 2-(1-adamantyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1-adamantyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1-adamantyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone is COc1cccc(N2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)c1.
What is the InChIKey of 2-(1-adamantyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is PSTABXRYWMUHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-27-21-4-2-3-20(12-21)24-5-7-25(8-6-24)22(26)16-23-13-17-9-18(14-23)11-19(10-17)15-23/h2-4,12,17-19H,5-11,13-16H2,1H3.
What are the key properties of 2-(1-adamantyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone?
2-(1-adamantyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 368.52 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 9372321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).