1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-phenoxyethanone

C23H30N2O3 — CID 51292586

IUPAC1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C23H30N2O3/c26-21(16-28-20-4-2-1-3-5-20)24-6-8-25(9-7-24)22(27)23-13-17-10-18(14-23)12-19(11-17)15-23/h1-5,17-19H,6-16H2
InChIKeyKFWCVMYTESLPBM-UHFFFAOYSA-N
MW382.50 g/mol
LogP2.95
Rot. Bonds4

About 1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-phenoxyethanone

1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-phenoxyethanone (PubChem CID 51292586) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-phenoxyethanone
PubChem CID51292586
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C23H30N2O3/c26-21(16-28-20-4-2-1-3-5-20)24-6-8-25(9-7-24)22(27)23-13-17-10-18(14-23)12-19(11-17)15-23/h1-5,17-19H,6-16H2
InChIKeyKFWCVMYTESLPBM-UHFFFAOYSA-N
XLogP2.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-phenoxyethanone with MolForge

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Related Compounds

1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
phenyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate
CID 51294878
N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-phenoxyacetamide
CID 108555861
6-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 55531436
1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 46585088
1-(6-azaspiro[2.5]octan-6-yl)-2-phenoxyethanone
CID 97399323
1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone
CID 695003
1-adamantyl-(4-phenylpiperidin-1-yl)methanone
CID 2921328
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55630806
4-[[1-(adamantane-1-carbonyl)piperidin-4-yl]methoxy]benzoic acid
CID 24771373
1-[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-phenoxyethanone
CID 11896902

Frequently Asked Questions

What is the IUPAC name of 1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-phenoxyethanone (CID 51292586) is 1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-phenoxyethanone?
The InChIKey is KFWCVMYTESLPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c26-21(16-28-20-4-2-1-3-5-20)24-6-8-25(9-7-24)22(27)23-13-17-10-18(14-23)12-19(11-17)15-23/h1-5,17-19H,6-16H2.
What are the key properties of 1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-phenoxyethanone?
1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-phenoxyethanone has a molecular weight of 382.50 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 51292586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).