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

C23H35N3O6 — CID 42708161

IUPACN-[3-methyl-1-[3-methyl-4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]propanamide
SMILESCCC(=O)NC(C(=O)N1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)C(C)C1)C(C)C
InChIInChI=1S/C23H35N3O6/c1-8-19(27)24-20(14(2)3)23(29)25-9-10-26(15(4)13-25)22(28)16-11-17(30-5)21(32-7)18(12-16)31-6/h11-12,14-15,20H,8-10,13H2,1-7H3,(H,24,27)
InChIKeyTWIDDVBBLUJADS-UHFFFAOYSA-N
MW449.55 g/mol
LogP1.94
Rot. Bonds8

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

N-[3-methyl-1-[3-methyl-4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]propanamide (PubChem CID 42708161) has the molecular formula C23H35N3O6 and a molecular weight of 449.55 g/mol. Its IUPAC name is N-[3-methyl-1-[3-methyl-4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]propanamide.

Molecular Properties

Compound NameN-[3-methyl-1-[3-methyl-4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]propanamide
PubChem CID42708161
Molecular FormulaC23H35N3O6
Molecular Weight449.55 g/mol
Exact Mass449.25
IUPAC NameN-[3-methyl-1-[3-methyl-4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]propanamide
SMILESCCC(=O)NC(C(=O)N1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)C(C)C1)C(C)C
InChIInChI=1S/C23H35N3O6/c1-8-19(27)24-20(14(2)3)23(29)25-9-10-26(15(4)13-25)22(28)16-11-17(30-5)21(32-7)18(12-16)31-6/h11-12,14-15,20H,8-10,13H2,1-7H3,(H,24,27)
InChIKeyTWIDDVBBLUJADS-UHFFFAOYSA-N
XLogP1.94
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[3-methyl-1-[3-methyl-4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]propanamide
CID 42708165
N-[3-methyl-1-(3-methyl-4-pentanoylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide
CID 42706669
[1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl N-(3-methylbutan-2-yl)carbamate
CID 10077575
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
N-[1-(4-benzoyl-3-methylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-3-fluorobenzamide
CID 42706708
N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]hexanamide
CID 42706572
[1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl 2-ethylbutanoate
CID 3075901
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
N-propan-2-yl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18156802
N-[1-(4-benzoyl-3-methylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]benzenesulfonamide
CID 42706723

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-[3-methyl-4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]propanamide?
The IUPAC name of N-[3-methyl-1-[3-methyl-4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]propanamide (CID 42708161) is 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 N-[3-methyl-1-[3-methyl-4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]propanamide?
The canonical SMILES for N-[3-methyl-1-[3-methyl-4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]propanamide is CCC(=O)NC(C(=O)N1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)C(C)C1)C(C)C.
What is the InChIKey of N-[3-methyl-1-[3-methyl-4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]propanamide?
The InChIKey is TWIDDVBBLUJADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O6/c1-8-19(27)24-20(14(2)3)23(29)25-9-10-26(15(4)13-25)22(28)16-11-17(30-5)21(32-7)18(12-16)31-6/h11-12,14-15,20H,8-10,13H2,1-7H3,(H,24,27).
What are the key properties of N-[3-methyl-1-[3-methyl-4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]propanamide?
N-[3-methyl-1-[3-methyl-4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]propanamide has a molecular weight of 449.55 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-[3-methyl-4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]propanamide is sourced from PubChem (CID 42708161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).