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

C23H32N2O2 — CID 4880390

IUPAC1-(1-adamantyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1cccc(N2CCN(CC(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1
InChIInChI=1S/C23H32N2O2/c1-27-21-4-2-3-20(12-21)25-7-5-24(6-8-25)16-22(26)23-13-17-9-18(14-23)11-19(10-17)15-23/h2-4,12,17-19H,5-11,13-16H2,1H3
InChIKeyKYBIYLQZPHOUBG-UHFFFAOYSA-N
MW368.52 g/mol
LogP3.60
Rot. Bonds5

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

1-(1-adamantyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 4880390) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(1-adamantyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID4880390
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name1-(1-adamantyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1cccc(N2CCN(CC(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1
InChIInChI=1S/C23H32N2O2/c1-27-21-4-2-3-20(12-21)25-7-5-24(6-8-25)16-22(26)23-13-17-9-18(14-23)11-19(10-17)15-23/h2-4,12,17-19H,5-11,13-16H2,1H3
InChIKeyKYBIYLQZPHOUBG-UHFFFAOYSA-N
XLogP3.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(4-acetylpiperazin-1-yl)butoxy]phenyl]-2-(1-adamantyl)acetamide
CID 90668283
Tert-butyl 4-[4-[3-[[2-(1-adamantyl)acetyl]amino]phenoxy]butyl]piperazine-1-carboxylate
CID 90668284
2-(1-adamantyl)-N-[3-[4-(4-methylsulfonylpiperazin-1-yl)butoxy]phenyl]acetamide
CID 90668285
1-(2-Adamantyl)-4-(3-methoxyphenyl)piperazine
CID 743084
2-Adamantan-1-yl-N-[3-(3-morpholin-4-yl-propoxy)-phenyl]-acetamide
CID 16041611
Adamantane-1-carboxylic acid [3-(3-morpholin-4-yl-propoxy)-phenyl]-amide
CID 44590744
2-Adamantan-1-yl-N-[4-fluoro-3-(3-morpholin-4-yl-propoxy)-phenyl]-acetamide
CID 45269986
1-(1-Adamantylacetyl)-4-(4-methoxy-2-nitrophenyl)piperazine
CID 2969878
1-(adamantylcarbonyl)-N-{4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl}-L-prolinamide
CID 44431017
3-Adamantan-1-yl-N-[3-(3-morpholin-4-yl-propoxy)-phenyl]-2-oxo-propionamide
CID 44590936
4-Adamantan-1-yl-N-[3-(3-morpholin-4-yl-propoxy)-phenyl]-2-oxo-butyramide
CID 44590937
3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl 2-[(5S,7R)-3-methyl-1-adamantyl]acetate;dihydrochloride
CID 45262366

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(1-adamantyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone (CID 4880390) is 1-(1-adamantyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(1-adamantyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(1-adamantyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone is COc1cccc(N2CCN(CC(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1.
What is the InChIKey of 1-(1-adamantyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is KYBIYLQZPHOUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-27-21-4-2-3-20(12-21)25-7-5-24(6-8-25)16-22(26)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 1-(1-adamantyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone?
1-(1-adamantyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 368.52 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 4880390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).