[4-(4-methoxy-2,3,5-trimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone

C20H28N2O4 — CID 110801177

IUPAC[4-(4-methoxy-2,3,5-trimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCOc1c(C)cc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)c(C)c1C
InChIInChI=1S/C20H28N2O4/c1-13-12-16(14(2)15(3)18(13)25-4)19(23)21-7-9-22(10-8-21)20(24)17-6-5-11-26-17/h12,17H,5-11H2,1-4H3
InChIKeyBONCFTPHZXALNW-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.08
Rot. Bonds3

About [4-(4-methoxy-2,3,5-trimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(4-methoxy-2,3,5-trimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 110801177) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is [4-(4-methoxy-2,3,5-trimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-methoxy-2,3,5-trimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID110801177
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name[4-(4-methoxy-2,3,5-trimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCOc1c(C)cc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)c(C)c1C
InChIInChI=1S/C20H28N2O4/c1-13-12-16(14(2)15(3)18(13)25-4)19(23)21-7-9-22(10-8-21)20(24)17-6-5-11-26-17/h12,17H,5-11H2,1-4H3
InChIKeyBONCFTPHZXALNW-UHFFFAOYSA-N
XLogP2.08
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51162607
4-methoxy-1-methyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridin-2-one
CID 126852228
[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 110807167
[4-(3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 91956582
[4-(2-methoxy-4-propan-2-ylbenzoyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 110807146
[4-(5-methoxy-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 164636981
[4-[4-(2-methoxypyrimidin-5-yl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 86274684
oxolan-2-yl-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone
CID 113076272
N-(2-methoxyethyl)-4-methyl-3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55347495
[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110395983
[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 94150695
[4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51144884

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxy-2,3,5-trimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(4-methoxy-2,3,5-trimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 110801177) is [4-(4-methoxy-2,3,5-trimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(4-methoxy-2,3,5-trimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(4-methoxy-2,3,5-trimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone is COc1c(C)cc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)c(C)c1C.
What is the InChIKey of [4-(4-methoxy-2,3,5-trimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is BONCFTPHZXALNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-13-12-16(14(2)15(3)18(13)25-4)19(23)21-7-9-22(10-8-21)20(24)17-6-5-11-26-17/h12,17H,5-11H2,1-4H3.
What are the key properties of [4-(4-methoxy-2,3,5-trimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(4-methoxy-2,3,5-trimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 360.45 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxy-2,3,5-trimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 110801177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).