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

C22H30N2O2 — CID 6466089

IUPAC[4-(1-adamantyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C22H30N2O2/c1-26-20-5-3-2-4-19(20)21(25)23-6-8-24(9-7-23)22-13-16-10-17(14-22)12-18(11-16)15-22/h2-5,16-18H,6-15H2,1H3
InChIKeyTXNVXOWFQLFUQC-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.42
Rot. Bonds3

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

[4-(1-adamantyl)piperazin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 6466089) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is [4-(1-adamantyl)piperazin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(1-adamantyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID6466089
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name[4-(1-adamantyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C22H30N2O2/c1-26-20-5-3-2-4-19(20)21(25)23-6-8-24(9-7-23)22-13-16-10-17(14-22)12-18(11-16)15-22/h2-5,16-18H,6-15H2,1H3
InChIKeyTXNVXOWFQLFUQC-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-adamantyl)piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 6468657
3-[4-(1-adamantyl)piperazine-1-carbonyl]-8-methoxychromen-2-one
CID 3238543
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide
CID 68776678
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
(2-methoxyphenyl)-[4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]methanone
CID 110637980
2,2-dichloro-1-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 108567688
(1,1-dioxo-1,4-thiazinan-4-yl)-(2-methoxyphenyl)methanone
CID 110721382
[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 1148027
(4-chlorophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 46555244
(2-methoxyphenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1072088

Frequently Asked Questions

What is the IUPAC name of [4-(1-adamantyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [4-(1-adamantyl)piperazin-1-yl]-(2-methoxyphenyl)methanone (CID 6466089) is [4-(1-adamantyl)piperazin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [4-(1-adamantyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [4-(1-adamantyl)piperazin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of [4-(1-adamantyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is TXNVXOWFQLFUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-26-20-5-3-2-4-19(20)21(25)23-6-8-24(9-7-23)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 [4-(1-adamantyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
[4-(1-adamantyl)piperazin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 354.49 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-adamantyl)piperazin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 6466089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).