N,N-diethyl-4-[(3-methoxyphenyl)-(4,5,5-trimethylpiperazin-2-yl)methyl]benzamide

C26H37N3O2 — CID 23447960

IUPACN,N-diethyl-4-[(3-methoxyphenyl)-(4,5,5-trimethylpiperazin-2-yl)methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(c2cccc(OC)c2)C2CN(C)C(C)(C)CN2)cc1
InChIInChI=1S/C26H37N3O2/c1-7-29(8-2)25(30)20-14-12-19(13-15-20)24(21-10-9-11-22(16-21)31-6)23-17-28(5)26(3,4)18-27-23/h9-16,23-24,27H,7-8,17-18H2,1-6H3
InChIKeyKIWGXSSCLNJJDT-UHFFFAOYSA-N
MW423.60 g/mol
LogP3.99
Rot. Bonds7

About N,N-diethyl-4-[(3-methoxyphenyl)-(4,5,5-trimethylpiperazin-2-yl)methyl]benzamide

N,N-diethyl-4-[(3-methoxyphenyl)-(4,5,5-trimethylpiperazin-2-yl)methyl]benzamide (PubChem CID 23447960) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is N,N-diethyl-4-[(3-methoxyphenyl)-(4,5,5-trimethylpiperazin-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(3-methoxyphenyl)-(4,5,5-trimethylpiperazin-2-yl)methyl]benzamide
PubChem CID23447960
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC NameN,N-diethyl-4-[(3-methoxyphenyl)-(4,5,5-trimethylpiperazin-2-yl)methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(c2cccc(OC)c2)C2CN(C)C(C)(C)CN2)cc1
InChIInChI=1S/C26H37N3O2/c1-7-29(8-2)25(30)20-14-12-19(13-15-20)24(21-10-9-11-22(16-21)31-6)23-17-28(5)26(3,4)18-27-23/h9-16,23-24,27H,7-8,17-18H2,1-6H3
InChIKeyKIWGXSSCLNJJDT-UHFFFAOYSA-N
XLogP3.99
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-4-[(3-methoxyphenyl)-(4,5,5-trimethylpiperazin-2-yl)methyl]benzamide 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

4-[(R)-[(2S,5R)-2,5-dimethyl-4-(2-methylprop-2-enyl)piperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide
CID 10813958
4-[(S)-[(2R,5S)-4-benzyl-2,5-dimethylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide
CID 10720177
N,N-diethyl-4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]benzamide
CID 58313276
N,N-diethyl-4-[3-methoxy-N-(1-pyrrolidin-1-ylbutyl)anilino]benzamide
CID 70118988
tert-butyl 2,5,5-trimethylpiperazine-1-carboxylate;ditert-butyl oxalate;N,N-diethyl-4-[(3-methoxyphenyl)-(2,5,5-trimethyl-4-prop-2-enylpiperazin-1-yl)methyl]benzamide;ethene
CID 91287534
N,N-diethyl-3-(3-methoxyphenyl)-2-methylpentanamide
CID 71250291
N-[4-(diethylcarbamoyl)phenyl]-3-methoxybenzamide
CID 7942192
cis-(1S,2R)-2-[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131878
N,N-diethyl-4-[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]benzamide
CID 22729931
N,N-diethyl-4-[[4-(2-formylphenyl)-3,5-dimethylpyrazol-1-yl]-(3-methoxyphenyl)methyl]benzamide
CID 22285734
ethyl 2-(N-[3-(diethylcarbamoyl)phenyl]-3-methoxyanilino)propanoate
CID 70116013
N,N-diethyl-1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 111380972

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(3-methoxyphenyl)-(4,5,5-trimethylpiperazin-2-yl)methyl]benzamide?
The IUPAC name of N,N-diethyl-4-[(3-methoxyphenyl)-(4,5,5-trimethylpiperazin-2-yl)methyl]benzamide (CID 23447960) is N,N-diethyl-4-[(3-methoxyphenyl)-(4,5,5-trimethylpiperazin-2-yl)methyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[(3-methoxyphenyl)-(4,5,5-trimethylpiperazin-2-yl)methyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[(3-methoxyphenyl)-(4,5,5-trimethylpiperazin-2-yl)methyl]benzamide is CCN(CC)C(=O)c1ccc(C(c2cccc(OC)c2)C2CN(C)C(C)(C)CN2)cc1.
What is the InChIKey of N,N-diethyl-4-[(3-methoxyphenyl)-(4,5,5-trimethylpiperazin-2-yl)methyl]benzamide?
The InChIKey is KIWGXSSCLNJJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2/c1-7-29(8-2)25(30)20-14-12-19(13-15-20)24(21-10-9-11-22(16-21)31-6)23-17-28(5)26(3,4)18-27-23/h9-16,23-24,27H,7-8,17-18H2,1-6H3.
What are the key properties of N,N-diethyl-4-[(3-methoxyphenyl)-(4,5,5-trimethylpiperazin-2-yl)methyl]benzamide?
N,N-diethyl-4-[(3-methoxyphenyl)-(4,5,5-trimethylpiperazin-2-yl)methyl]benzamide has a molecular weight of 423.60 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(3-methoxyphenyl)-(4,5,5-trimethylpiperazin-2-yl)methyl]benzamide is sourced from PubChem (CID 23447960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).