4-benzyl-N-(3,4,5-triethoxyphenyl)piperazine-1-carboxamide

C24H33N3O4 — CID 108869729

IUPAC4-benzyl-N-(3,4,5-triethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1cc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc(OCC)c1OCC
InChIInChI=1S/C24H33N3O4/c1-4-29-21-16-20(17-22(30-5-2)23(21)31-6-3)25-24(28)27-14-12-26(13-15-27)18-19-10-8-7-9-11-19/h7-11,16-17H,4-6,12-15,18H2,1-3H3,(H,25,28)
InChIKeyVKHWLQDGZGNPLV-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.23
Rot. Bonds9

About 4-benzyl-N-(3,4,5-triethoxyphenyl)piperazine-1-carboxamide

4-benzyl-N-(3,4,5-triethoxyphenyl)piperazine-1-carboxamide (PubChem CID 108869729) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is 4-benzyl-N-(3,4,5-triethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(3,4,5-triethoxyphenyl)piperazine-1-carboxamide
PubChem CID108869729
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Name4-benzyl-N-(3,4,5-triethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1cc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc(OCC)c1OCC
InChIInChI=1S/C24H33N3O4/c1-4-29-21-16-20(17-22(30-5-2)23(21)31-6-3)25-24(28)27-14-12-26(13-15-27)18-19-10-8-7-9-11-19/h7-11,16-17H,4-6,12-15,18H2,1-3H3,(H,25,28)
InChIKeyVKHWLQDGZGNPLV-UHFFFAOYSA-N
XLogP4.23
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 6468674
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
(4-benzylpiperazin-1-yl)-(3-bromo-4,5-diethoxyphenyl)methanethione
CID 3913014
methyl 4-[(4-benzylpiperazine-1-carbonyl)amino]benzoate
CID 47039900
4-[(4-methylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113107087
2-(4-benzylpiperazin-1-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
CID 44902030
4-(2-phenylethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113108846
N-[(1-benzylpiperidin-4-ylidene)amino]-3,4,5-triethoxybenzamide
CID 4244582
4-benzyl-N-(3-butan-2-yloxyphenyl)piperazine-1-carboxamide
CID 60582953
4-benzyl-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 108894755
4-[(4-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 6470193
(4-benzylpiperazin-1-yl)-(3,5-dichloro-4-ethoxyphenyl)methanethione
CID 4003675

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(3,4,5-triethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-(3,4,5-triethoxyphenyl)piperazine-1-carboxamide (CID 108869729) is 4-benzyl-N-(3,4,5-triethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-(3,4,5-triethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-(3,4,5-triethoxyphenyl)piperazine-1-carboxamide is CCOc1cc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc(OCC)c1OCC.
What is the InChIKey of 4-benzyl-N-(3,4,5-triethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is VKHWLQDGZGNPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-4-29-21-16-20(17-22(30-5-2)23(21)31-6-3)25-24(28)27-14-12-26(13-15-27)18-19-10-8-7-9-11-19/h7-11,16-17H,4-6,12-15,18H2,1-3H3,(H,25,28).
What are the key properties of 4-benzyl-N-(3,4,5-triethoxyphenyl)piperazine-1-carboxamide?
4-benzyl-N-(3,4,5-triethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(3,4,5-triethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 108869729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).