1-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone

C23H34N2O2 — CID 55566268

IUPAC1-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone
SMILESCC(=O)c1c(C)cc(C)c(CN2CCN(C(=O)CC3CCCC3)CC2)c1C
InChIInChI=1S/C23H34N2O2/c1-16-13-17(2)23(19(4)26)18(3)21(16)15-24-9-11-25(12-10-24)22(27)14-20-7-5-6-8-20/h13,20H,5-12,14-15H2,1-4H3
InChIKeyJBAVLUDPYKBNGA-UHFFFAOYSA-N
MW370.54 g/mol
LogP4.04
Rot. Bonds5

About 1-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone

1-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone (PubChem CID 55566268) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 1-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone.

Molecular Properties

Compound Name1-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone
PubChem CID55566268
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name1-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone
SMILESCC(=O)c1c(C)cc(C)c(CN2CCN(C(=O)CC3CCCC3)CC2)c1C
InChIInChI=1S/C23H34N2O2/c1-16-13-17(2)23(19(4)26)18(3)21(16)15-24-9-11-25(12-10-24)22(27)14-20-7-5-6-8-20/h13,20H,5-12,14-15H2,1-4H3
InChIKeyJBAVLUDPYKBNGA-UHFFFAOYSA-N
XLogP4.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone with MolForge

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Related Compounds

1-[3-[(4-acetyl-1,4-diazepan-1-yl)methyl]-2,4,6-trimethylphenyl]ethanone
CID 30760359
1-[2,4,6-trimethyl-3-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone
CID 35316912
1-[2,4,6-trimethyl-3-[[3-(methylamino)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride
CID 119920332
1-[3-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]-2,4,6-trimethylphenyl]ethanone
CID 75436645
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone
CID 112764711
2-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 33075299
1-[4-(3-acetyl-4-methylbenzoyl)piperazin-1-yl]-2-cyclohexylethanone
CID 136538057
2-chloro-1-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]ethanone
CID 52916311
1-[3-[[(6S)-6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]methyl]-2,4,6-trimethylphenyl]ethanone
CID 95726681
2-cyclohexyl-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55330434
3-[[4-(2-cyclohexylacetyl)piperazin-1-yl]methyl]benzoic acid
CID 122028917
1-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]butan-1-one
CID 48558797

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone?
The IUPAC name of 1-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone (CID 55566268) is 1-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone.
What is the SMILES notation for 1-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone?
The canonical SMILES for 1-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone is CC(=O)c1c(C)cc(C)c(CN2CCN(C(=O)CC3CCCC3)CC2)c1C.
What is the InChIKey of 1-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone?
The InChIKey is JBAVLUDPYKBNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-16-13-17(2)23(19(4)26)18(3)21(16)15-24-9-11-25(12-10-24)22(27)14-20-7-5-6-8-20/h13,20H,5-12,14-15H2,1-4H3.
What are the key properties of 1-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone?
1-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone has a molecular weight of 370.54 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone is sourced from PubChem (CID 55566268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).