4-(2,4-dimethoxybenzoyl)-N-[2-methyl-5-(3-methylbutanoyl)phenyl]piperazine-1-carboxamide

C26H33N3O5 — CID 58328134

IUPAC4-(2,4-dimethoxybenzoyl)-N-[2-methyl-5-(3-methylbutanoyl)phenyl]piperazine-1-carboxamide
SMILESCOc1ccc(C(=O)N2CCN(C(=O)Nc3cc(C(=O)CC(C)C)ccc3C)CC2)c(OC)c1
InChIInChI=1S/C26H33N3O5/c1-17(2)14-23(30)19-7-6-18(3)22(15-19)27-26(32)29-12-10-28(11-13-29)25(31)21-9-8-20(33-4)16-24(21)34-5/h6-9,15-17H,10-14H2,1-5H3,(H,27,32)
InChIKeyWFZLKRLNCQZMDZ-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.23
Rot. Bonds7

About 4-(2,4-dimethoxybenzoyl)-N-[2-methyl-5-(3-methylbutanoyl)phenyl]piperazine-1-carboxamide

4-(2,4-dimethoxybenzoyl)-N-[2-methyl-5-(3-methylbutanoyl)phenyl]piperazine-1-carboxamide (PubChem CID 58328134) has the molecular formula C26H33N3O5 and a molecular weight of 467.57 g/mol. Its IUPAC name is 4-(2,4-dimethoxybenzoyl)-N-[2-methyl-5-(3-methylbutanoyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,4-dimethoxybenzoyl)-N-[2-methyl-5-(3-methylbutanoyl)phenyl]piperazine-1-carboxamide
PubChem CID58328134
Molecular FormulaC26H33N3O5
Molecular Weight467.57 g/mol
Exact Mass467.24
IUPAC Name4-(2,4-dimethoxybenzoyl)-N-[2-methyl-5-(3-methylbutanoyl)phenyl]piperazine-1-carboxamide
SMILESCOc1ccc(C(=O)N2CCN(C(=O)Nc3cc(C(=O)CC(C)C)ccc3C)CC2)c(OC)c1
InChIInChI=1S/C26H33N3O5/c1-17(2)14-23(30)19-7-6-18(3)22(15-19)27-26(32)29-12-10-28(11-13-29)25(31)21-9-8-20(33-4)16-24(21)34-5/h6-9,15-17H,10-14H2,1-5H3,(H,27,32)
InChIKeyWFZLKRLNCQZMDZ-UHFFFAOYSA-N
XLogP4.23
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-carbamoyl-2-methylphenyl)-4-(2,4-dimethoxybenzoyl)piperazine-1-carboxamide
CID 58328128
4-(2,4-dimethoxybenzoyl)-N-[5-(4-methoxybutanoyl)-2-methylphenyl]piperazine-1-carboxamide
CID 58328187
1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-one
CID 65313814
4-(2,4-dimethoxybenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide
CID 110812395
4-(2,4-dimethoxybenzoyl)-N-prop-2-ynylpiperazine-1-carboxamide
CID 51089081
(2S)-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-methylbutan-1-one
CID 94636730
(2R)-2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 119300869
ethyl 4-(2,4-dimethoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110808976
N-(2,4-dimethoxyphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113112429
1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)ethanone
CID 55904195
(4-bromopiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 80661673
N-(2,4-dimethoxyphenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 6464385

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxybenzoyl)-N-[2-methyl-5-(3-methylbutanoyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2,4-dimethoxybenzoyl)-N-[2-methyl-5-(3-methylbutanoyl)phenyl]piperazine-1-carboxamide (CID 58328134) is 4-(2,4-dimethoxybenzoyl)-N-[2-methyl-5-(3-methylbutanoyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,4-dimethoxybenzoyl)-N-[2-methyl-5-(3-methylbutanoyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2,4-dimethoxybenzoyl)-N-[2-methyl-5-(3-methylbutanoyl)phenyl]piperazine-1-carboxamide is COc1ccc(C(=O)N2CCN(C(=O)Nc3cc(C(=O)CC(C)C)ccc3C)CC2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxybenzoyl)-N-[2-methyl-5-(3-methylbutanoyl)phenyl]piperazine-1-carboxamide?
The InChIKey is WFZLKRLNCQZMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5/c1-17(2)14-23(30)19-7-6-18(3)22(15-19)27-26(32)29-12-10-28(11-13-29)25(31)21-9-8-20(33-4)16-24(21)34-5/h6-9,15-17H,10-14H2,1-5H3,(H,27,32).
What are the key properties of 4-(2,4-dimethoxybenzoyl)-N-[2-methyl-5-(3-methylbutanoyl)phenyl]piperazine-1-carboxamide?
4-(2,4-dimethoxybenzoyl)-N-[2-methyl-5-(3-methylbutanoyl)phenyl]piperazine-1-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxybenzoyl)-N-[2-methyl-5-(3-methylbutanoyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 58328134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).