N-(4-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide

C22H29N3O5 — CID 24745617

IUPACN-(4-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)cc1
InChIInChI=1S/C22H29N3O5/c1-27-18-8-6-17(7-9-18)23-22(26)25-13-11-24(12-14-25)15-16-5-10-19(28-2)21(30-4)20(16)29-3/h5-10H,11-15H2,1-4H3,(H,23,26)
InChIKeyUFINTPXMBLYWMK-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.07
Rot. Bonds7

About N-(4-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide

N-(4-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide (PubChem CID 24745617) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide
PubChem CID24745617
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC NameN-(4-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)cc1
InChIInChI=1S/C22H29N3O5/c1-27-18-8-6-17(7-9-18)23-22(26)25-13-11-24(12-14-25)15-16-5-10-19(28-2)21(30-4)20(16)29-3/h5-10H,11-15H2,1-4H3,(H,23,26)
InChIKeyUFINTPXMBLYWMK-UHFFFAOYSA-N
XLogP3.07
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 17468033
4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 6470831
1-(4-methoxyphenyl)-3-[6-[4-[(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]urea
CID 46054074
3-methyl-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one
CID 1203196
phenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1148101
[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbothioyl]sulfanyl 4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbodithioate
CID 88521116
(4-fluorophenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1131721
(5,6,7-trimethoxynaphthalen-2-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110182317
2-(4-ethoxyphenyl)sulfanyl-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55416242
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 38165020
4-[(2,5-dimethoxyphenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide
CID 17087524
1-(4-methoxyphenoxy)-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol
CID 12902639

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide (CID 24745617) is N-(4-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is UFINTPXMBLYWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5/c1-27-18-8-6-17(7-9-18)23-22(26)25-13-11-24(12-14-25)15-16-5-10-19(28-2)21(30-4)20(16)29-3/h5-10H,11-15H2,1-4H3,(H,23,26).
What are the key properties of N-(4-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide?
N-(4-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 24745617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).