2-methyl-N-[3-methyl-1-[3-methyl-4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]propanamide

C24H37N3O6 — CID 42708165

IUPAC2-methyl-N-[3-methyl-1-[3-methyl-4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]propanamide
SMILESCOc1cc(C(=O)N2CCN(C(=O)C(NC(=O)C(C)C)C(C)C)CC2C)cc(OC)c1OC
InChIInChI=1S/C24H37N3O6/c1-14(2)20(25-22(28)15(3)4)24(30)26-9-10-27(16(5)13-26)23(29)17-11-18(31-6)21(33-8)19(12-17)32-7/h11-12,14-16,20H,9-10,13H2,1-8H3,(H,25,28)
InChIKeyNZQMUKHWSZJINX-UHFFFAOYSA-N
MW463.58 g/mol
LogP2.18
Rot. Bonds8

About 2-methyl-N-[3-methyl-1-[3-methyl-4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]propanamide

2-methyl-N-[3-methyl-1-[3-methyl-4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]propanamide (PubChem CID 42708165) has the molecular formula C24H37N3O6 and a molecular weight of 463.58 g/mol. Its IUPAC name is 2-methyl-N-[3-methyl-1-[3-methyl-4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-methyl-1-[3-methyl-4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]propanamide
PubChem CID42708165
Molecular FormulaC24H37N3O6
Molecular Weight463.58 g/mol
Exact Mass463.27
IUPAC Name2-methyl-N-[3-methyl-1-[3-methyl-4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]propanamide
SMILESCOc1cc(C(=O)N2CCN(C(=O)C(NC(=O)C(C)C)C(C)C)CC2C)cc(OC)c1OC
InChIInChI=1S/C24H37N3O6/c1-14(2)20(25-22(28)15(3)4)24(30)26-9-10-27(16(5)13-26)23(29)17-11-18(31-6)21(33-8)19(12-17)32-7/h11-12,14-16,20H,9-10,13H2,1-8H3,(H,25,28)
InChIKeyNZQMUKHWSZJINX-UHFFFAOYSA-N
XLogP2.18
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-methyl-1-[3-methyl-4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]propanamide
CID 42708161
[1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl N-(3-methylbutan-2-yl)carbamate
CID 10077575
N-[1-(4-benzoyl-3-methylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-3-fluorobenzamide
CID 42706708
N-[1-(4-benzoyl-3-methylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 42706699
N-[3-methyl-1-[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]naphthalene-2-carboxamide
CID 42706655
2-methyl-1-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796841
N-[1-(4-benzoyl-3-methylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]benzenesulfonamide
CID 42706723
1-[1-(4-benzoyl-3-methylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 42706717
1-[1-(4-benzoyl-3-methylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-3-(3-bromophenyl)urea
CID 42706719
N-[3-methyl-1-[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]-3-phenylpropanamide
CID 42706653
N-[1-[4-(2-chlorobenzoyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenoxyacetamide
CID 42708596
[1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl 2-ethylbutanoate
CID 3075901

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-methyl-1-[3-methyl-4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[3-methyl-1-[3-methyl-4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]propanamide (CID 42708165) is 2-methyl-N-[3-methyl-1-[3-methyl-4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-methyl-1-[3-methyl-4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[3-methyl-1-[3-methyl-4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]propanamide is COc1cc(C(=O)N2CCN(C(=O)C(NC(=O)C(C)C)C(C)C)CC2C)cc(OC)c1OC.
What is the InChIKey of 2-methyl-N-[3-methyl-1-[3-methyl-4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]propanamide?
The InChIKey is NZQMUKHWSZJINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O6/c1-14(2)20(25-22(28)15(3)4)24(30)26-9-10-27(16(5)13-26)23(29)17-11-18(31-6)21(33-8)19(12-17)32-7/h11-12,14-16,20H,9-10,13H2,1-8H3,(H,25,28).
What are the key properties of 2-methyl-N-[3-methyl-1-[3-methyl-4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]propanamide?
2-methyl-N-[3-methyl-1-[3-methyl-4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]propanamide has a molecular weight of 463.58 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-methyl-1-[3-methyl-4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]propanamide is sourced from PubChem (CID 42708165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).