oxolan-2-yl-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone

C18H26N2O2 — CID 113076272

IUPACoxolan-2-yl-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone
SMILESCc1cc(C)c(N2CCN(C(=O)C3CCCO3)CC2)c(C)c1
InChIInChI=1S/C18H26N2O2/c1-13-11-14(2)17(15(3)12-13)19-6-8-20(9-7-19)18(21)16-5-4-10-22-16/h11-12,16H,4-10H2,1-3H3
InChIKeyOOCYJLLQPWBAJM-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.44
Rot. Bonds2

About oxolan-2-yl-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone

oxolan-2-yl-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone (PubChem CID 113076272) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is oxolan-2-yl-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-2-yl-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone
PubChem CID113076272
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Nameoxolan-2-yl-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone
SMILESCc1cc(C)c(N2CCN(C(=O)C3CCCO3)CC2)c(C)c1
InChIInChI=1S/C18H26N2O2/c1-13-11-14(2)17(15(3)12-13)19-6-8-20(9-7-19)18(21)16-5-4-10-22-16/h11-12,16H,4-10H2,1-3H3
InChIKeyOOCYJLLQPWBAJM-UHFFFAOYSA-N
XLogP2.44
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 27233042
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51162607
oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078894
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
[4-(4-hydroxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 47098482
N-(3,5-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 6464827
[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 121031849
[4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 3513759
[4-(2,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113080191
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247014
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971292
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971476

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone?
The IUPAC name of oxolan-2-yl-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone (CID 113076272) is oxolan-2-yl-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for oxolan-2-yl-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for oxolan-2-yl-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone is Cc1cc(C)c(N2CCN(C(=O)C3CCCO3)CC2)c(C)c1.
What is the InChIKey of oxolan-2-yl-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone?
The InChIKey is OOCYJLLQPWBAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-11-14(2)17(15(3)12-13)19-6-8-20(9-7-19)18(21)16-5-4-10-22-16/h11-12,16H,4-10H2,1-3H3.
What are the key properties of oxolan-2-yl-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone?
oxolan-2-yl-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone has a molecular weight of 302.42 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 113076272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).