N,N-diethyl-4-[(3-methoxyphenyl)-(2,2,5-trimethylpiperazin-1-yl)methyl]benzamide

C26H37N3O2 — CID 10598392

IUPACN,N-diethyl-4-[(3-methoxyphenyl)-(2,2,5-trimethylpiperazin-1-yl)methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(c2cccc(OC)c2)N2CC(C)NCC2(C)C)cc1
InChIInChI=1S/C26H37N3O2/c1-7-28(8-2)25(30)21-14-12-20(13-15-21)24(22-10-9-11-23(16-22)31-6)29-17-19(3)27-18-26(29,4)5/h9-16,19,24,27H,7-8,17-18H2,1-6H3
InChIKeyYLSDZONXUSTQQM-UHFFFAOYSA-N
MW423.60 g/mol
LogP4.34
Rot. Bonds7

About N,N-diethyl-4-[(3-methoxyphenyl)-(2,2,5-trimethylpiperazin-1-yl)methyl]benzamide

N,N-diethyl-4-[(3-methoxyphenyl)-(2,2,5-trimethylpiperazin-1-yl)methyl]benzamide (PubChem CID 10598392) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is N,N-diethyl-4-[(3-methoxyphenyl)-(2,2,5-trimethylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(3-methoxyphenyl)-(2,2,5-trimethylpiperazin-1-yl)methyl]benzamide
PubChem CID10598392
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC NameN,N-diethyl-4-[(3-methoxyphenyl)-(2,2,5-trimethylpiperazin-1-yl)methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(c2cccc(OC)c2)N2CC(C)NCC2(C)C)cc1
InChIInChI=1S/C26H37N3O2/c1-7-28(8-2)25(30)21-14-12-20(13-15-21)24(22-10-9-11-23(16-22)31-6)29-17-19(3)27-18-26(29,4)5/h9-16,19,24,27H,7-8,17-18H2,1-6H3
InChIKeyYLSDZONXUSTQQM-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(3-methoxyphenyl)-(2,2,5-trimethylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N,N-diethyl-4-[(3-methoxyphenyl)-(2,2,5-trimethylpiperazin-1-yl)methyl]benzamide (CID 10598392) is N,N-diethyl-4-[(3-methoxyphenyl)-(2,2,5-trimethylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[(3-methoxyphenyl)-(2,2,5-trimethylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[(3-methoxyphenyl)-(2,2,5-trimethylpiperazin-1-yl)methyl]benzamide is CCN(CC)C(=O)c1ccc(C(c2cccc(OC)c2)N2CC(C)NCC2(C)C)cc1.
What is the InChIKey of N,N-diethyl-4-[(3-methoxyphenyl)-(2,2,5-trimethylpiperazin-1-yl)methyl]benzamide?
The InChIKey is YLSDZONXUSTQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2/c1-7-28(8-2)25(30)21-14-12-20(13-15-21)24(22-10-9-11-23(16-22)31-6)29-17-19(3)27-18-26(29,4)5/h9-16,19,24,27H,7-8,17-18H2,1-6H3.
What are the key properties of N,N-diethyl-4-[(3-methoxyphenyl)-(2,2,5-trimethylpiperazin-1-yl)methyl]benzamide?
N,N-diethyl-4-[(3-methoxyphenyl)-(2,2,5-trimethylpiperazin-1-yl)methyl]benzamide has a molecular weight of 423.60 g/mol, XLogP of 4.34, 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)-(2,2,5-trimethylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 10598392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).