N-[2-(4-benzylpiperazin-1-yl)-2-methylpropyl]-2-methoxy-N-phenylacetamide

C24H33N3O2 — CID 126539774

IUPACN-[2-(4-benzylpiperazin-1-yl)-2-methylpropyl]-2-methoxy-N-phenylacetamide
SMILESCOCC(=O)N(CC(C)(C)N1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H33N3O2/c1-24(2,20-27(23(28)19-29-3)22-12-8-5-9-13-22)26-16-14-25(15-17-26)18-21-10-6-4-7-11-21/h4-13H,14-20H2,1-3H3
InChIKeyTZZUEYRJJXRWHE-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.26
Rot. Bonds8

About N-[2-(4-benzylpiperazin-1-yl)-2-methylpropyl]-2-methoxy-N-phenylacetamide

N-[2-(4-benzylpiperazin-1-yl)-2-methylpropyl]-2-methoxy-N-phenylacetamide (PubChem CID 126539774) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)-2-methylpropyl]-2-methoxy-N-phenylacetamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)-2-methylpropyl]-2-methoxy-N-phenylacetamide
PubChem CID126539774
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)-2-methylpropyl]-2-methoxy-N-phenylacetamide
SMILESCOCC(=O)N(CC(C)(C)N1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H33N3O2/c1-24(2,20-27(23(28)19-29-3)22-12-8-5-9-13-22)26-16-14-25(15-17-26)18-21-10-6-4-7-11-21/h4-13H,14-20H2,1-3H3
InChIKeyTZZUEYRJJXRWHE-UHFFFAOYSA-N
XLogP3.26
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-methylpropyl]-2-methoxy-N-phenylacetamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-methylpropyl]-2-methoxy-N-phenylacetamide (CID 126539774) is N-[2-(4-benzylpiperazin-1-yl)-2-methylpropyl]-2-methoxy-N-phenylacetamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)-2-methylpropyl]-2-methoxy-N-phenylacetamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)-2-methylpropyl]-2-methoxy-N-phenylacetamide is COCC(=O)N(CC(C)(C)N1CCN(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)-2-methylpropyl]-2-methoxy-N-phenylacetamide?
The InChIKey is TZZUEYRJJXRWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-24(2,20-27(23(28)19-29-3)22-12-8-5-9-13-22)26-16-14-25(15-17-26)18-21-10-6-4-7-11-21/h4-13H,14-20H2,1-3H3.
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)-2-methylpropyl]-2-methoxy-N-phenylacetamide?
N-[2-(4-benzylpiperazin-1-yl)-2-methylpropyl]-2-methoxy-N-phenylacetamide has a molecular weight of 395.55 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)-2-methylpropyl]-2-methoxy-N-phenylacetamide is sourced from PubChem (CID 126539774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).