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

C22H30N2O2 — CID 2839591

IUPAC1-adamantyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C22H30N2O2/c1-26-20-5-3-2-4-19(20)23-6-8-24(9-7-23)21(25)22-13-16-10-17(14-22)12-18(11-16)15-22/h2-5,16-18H,6-15H2,1H3
InChIKeyKSRHDINKWJNBBG-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.56
Rot. Bonds3

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

1-adamantyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 2839591) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-adamantyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1-adamantyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID2839591
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name1-adamantyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C22H30N2O2/c1-26-20-5-3-2-4-19(20)23-6-8-24(9-7-23)21(25)22-13-16-10-17(14-22)12-18(11-16)15-22/h2-5,16-18H,6-15H2,1H3
InChIKeyKSRHDINKWJNBBG-UHFFFAOYSA-N
XLogP3.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(2-(4-(2-Methoxyphenyl)-1-piperazinyl)ethyl)-8-azaspiro(4.5)decane-7,9-dione
CID 2419
N-(1,1-Dimethylethyl)-4-(2-methoxyphenyl)-alpha-phenyl-1-piperazinepropanamide
CID 115111
Bmy-7378
CID 210172
(2S)-N-tert-butyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanamide
CID 6604840
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexanecarboxamide
CID 9819571
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(2-nitrophenyl)cyclohexanecarboxamide
CID 9847377
1-(4-(4-Phenyl-1-piperazinyl)butyl)indolin-2-one
CID 10667433
2-Methoxyfentanyl
CID 12741853
Nbump
CID 64622
(2R)-1-(azepan-1-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 9803032
1-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one
CID 10340555
8-{3-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-benzyl}-8-aza-spiro[4.5]decane-7,9-dione
CID 10719846

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of 1-adamantyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 2839591) is 1-adamantyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1-adamantyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for 1-adamantyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-adamantyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is KSRHDINKWJNBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-26-20-5-3-2-4-19(20)23-6-8-24(9-7-23)21(25)22-13-16-10-17(14-22)12-18(11-16)15-22/h2-5,16-18H,6-15H2,1H3.
What are the key properties of 1-adamantyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
1-adamantyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 354.49 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2839591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).