1-adamantyl-(4-benzylpiperazin-1-yl)methanone

C22H30N2O — CID 2998753

IUPAC1-adamantyl-(4-benzylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(Cc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H30N2O/c25-21(22-13-18-10-19(14-22)12-20(11-18)15-22)24-8-6-23(7-9-24)16-17-4-2-1-3-5-17/h1-5,18-20H,6-16H2
InChIKeyWGVHQZGXNWGHKT-UHFFFAOYSA-N
MW338.49 g/mol
LogP3.55
Rot. Bonds3

About 1-adamantyl-(4-benzylpiperazin-1-yl)methanone

1-adamantyl-(4-benzylpiperazin-1-yl)methanone (PubChem CID 2998753) has the molecular formula C22H30N2O and a molecular weight of 338.49 g/mol. Its IUPAC name is 1-adamantyl-(4-benzylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1-adamantyl-(4-benzylpiperazin-1-yl)methanone
PubChem CID2998753
Molecular FormulaC22H30N2O
Molecular Weight338.49 g/mol
Exact Mass338.24
IUPAC Name1-adamantyl-(4-benzylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(Cc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H30N2O/c25-21(22-13-18-10-19(14-22)12-20(11-18)15-22)24-8-6-23(7-9-24)16-17-4-2-1-3-5-17/h1-5,18-20H,6-16H2
InChIKeyWGVHQZGXNWGHKT-UHFFFAOYSA-N
XLogP3.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Z-160
CID 4988454
(4-Benzhydrylpiperazin-1-yl)(cyclohexyl)methanone
CID 994313
N-phenethyladamantane-1-carboxamide
CID 2787235
N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-phenylpropan-2-yl]adamantane-1-carboxamide;dihydrochloride
CID 10460034
1-(4-Benzhydrylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 718736
2-(1-adamantyl)-N-(4-fluorobenzyl)acetamide
CID 2850229
adamantanyl-N-(1-carbamoyl-2-phenylethyl)carboxamide
CID 2973493
Piperazine, 1-(2-adamantyl)-4-benzoyl-
CID 571059
1-Benzhydryl-4-(cyclopropylcarbonyl)piperazine
CID 902950
[4-(Adamantane-1-carbonyl)-piperazin-1-yl]-phenyl-methanone
CID 2999452
N-(4-phenylbutyl)adamantane-1-carboxamide
CID 2841743
(4-Methyl-piperazin-1-yl)-(3-p-tolyl-adamantan-1-yl)-methanone
CID 2882437

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(4-benzylpiperazin-1-yl)methanone?
The IUPAC name of 1-adamantyl-(4-benzylpiperazin-1-yl)methanone (CID 2998753) is 1-adamantyl-(4-benzylpiperazin-1-yl)methanone.
What is the SMILES notation for 1-adamantyl-(4-benzylpiperazin-1-yl)methanone?
The canonical SMILES for 1-adamantyl-(4-benzylpiperazin-1-yl)methanone is O=C(N1CCN(Cc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-(4-benzylpiperazin-1-yl)methanone?
The InChIKey is WGVHQZGXNWGHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c25-21(22-13-18-10-19(14-22)12-20(11-18)15-22)24-8-6-23(7-9-24)16-17-4-2-1-3-5-17/h1-5,18-20H,6-16H2.
What are the key properties of 1-adamantyl-(4-benzylpiperazin-1-yl)methanone?
1-adamantyl-(4-benzylpiperazin-1-yl)methanone has a molecular weight of 338.49 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(4-benzylpiperazin-1-yl)methanone is sourced from PubChem (CID 2998753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).