2,6-dimethoxy-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide

C21H27N3O3 — CID 94249254

IUPAC2,6-dimethoxy-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NCc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C21H27N3O3/c1-23-11-13-24(14-12-23)17-9-7-16(8-10-17)15-22-21(25)20-18(26-2)5-4-6-19(20)27-3/h4-10H,11-15H2,1-3H3,(H,22,25)
InChIKeyVNNQBJLEAWIVMF-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.39
Rot. Bonds6

About 2,6-dimethoxy-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide

2,6-dimethoxy-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide (PubChem CID 94249254) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
PubChem CID94249254
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2,6-dimethoxy-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NCc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C21H27N3O3/c1-23-11-13-24(14-12-23)17-9-7-16(8-10-17)15-22-21(25)20-18(26-2)5-4-6-19(20)27-3/h4-10H,11-15H2,1-3H3,(H,22,25)
InChIKeyVNNQBJLEAWIVMF-UHFFFAOYSA-N
XLogP2.39
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
CID 132657777
(2R)-2-(2-methoxyphenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]butanamide
CID 99972794
N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 5216116
2,6-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 743463
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide
CID 42266552
4-chloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56685918
N'-[(2-methoxyphenyl)methyl]-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide
CID 16891852
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-propan-2-ylbenzamide
CID 110405180
N-[(2-methoxyphenyl)methyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108527615
N-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 108998649
5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384674
2,6-dimethoxy-N-[(4-methoxy-3-methylphenyl)methyl]benzamide
CID 110779766

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide (CID 94249254) is 2,6-dimethoxy-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide is COc1cccc(OC)c1C(=O)NCc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of 2,6-dimethoxy-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide?
The InChIKey is VNNQBJLEAWIVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-23-11-13-24(14-12-23)17-9-7-16(8-10-17)15-22-21(25)20-18(26-2)5-4-6-19(20)27-3/h4-10H,11-15H2,1-3H3,(H,22,25).
What are the key properties of 2,6-dimethoxy-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide?
2,6-dimethoxy-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide has a molecular weight of 369.47 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 94249254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).