phenyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate

C22H28N2O3 — CID 51294878

IUPACphenyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C22H28N2O3/c25-20(22-13-16-10-17(14-22)12-18(11-16)15-22)23-6-8-24(9-7-23)21(26)27-19-4-2-1-3-5-19/h1-5,16-18H,6-15H2
InChIKeyHVZUCIAPYHJOCB-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.55
Rot. Bonds2

About phenyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate

phenyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate (PubChem CID 51294878) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is phenyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate
PubChem CID51294878
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Namephenyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C22H28N2O3/c25-20(22-13-16-10-17(14-22)12-18(11-16)15-22)23-6-8-24(9-7-23)21(26)27-19-4-2-1-3-5-19/h1-5,16-18H,6-15H2
InChIKeyHVZUCIAPYHJOCB-UHFFFAOYSA-N
XLogP3.55
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-phenoxyethanone
CID 51292586
1-adamantyl-(4-phenylpiperidin-1-yl)methanone
CID 2921328
N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-phenoxyacetamide
CID 108555861
methyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate
CID 110365670
phenyl 4-sulfamoylpiperazine-1-carboxylate
CID 61132871
1-adamantyl(1,3-dihydroisoindol-2-yl)methanone
CID 71559523
N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-phenylacetamide
CID 108551322
1-adamantyl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4205495
phenyl 4-cyclopentylpiperazine-1-carboxylate
CID 60745355
1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 46585088
phenyl 4-tert-butylpiperazine-1-carboxylate
CID 61068784
phenyl 4-propanoylpiperazine-1-carboxylate
CID 46228295

Frequently Asked Questions

What is the IUPAC name of phenyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate?
The IUPAC name of phenyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate (CID 51294878) is phenyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for phenyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for phenyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate is O=C(Oc1ccccc1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of phenyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate?
The InChIKey is HVZUCIAPYHJOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c25-20(22-13-16-10-17(14-22)12-18(11-16)15-22)23-6-8-24(9-7-23)21(26)27-19-4-2-1-3-5-19/h1-5,16-18H,6-15H2.
What are the key properties of phenyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate?
phenyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate has a molecular weight of 368.48 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 51294878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).