2-(4-benzylpiperazin-1-yl)-N-(tert-butylcarbamoyl)acetamide

C18H28N4O2 — CID 2496927

IUPAC2-(4-benzylpiperazin-1-yl)-N-(tert-butylcarbamoyl)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H28N4O2/c1-18(2,3)20-17(24)19-16(23)14-22-11-9-21(10-12-22)13-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3,(H2,19,20,23,24)
InChIKeyAKMOKQKZJMTWSX-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.43
Rot. Bonds4

About 2-(4-benzylpiperazin-1-yl)-N-(tert-butylcarbamoyl)acetamide

2-(4-benzylpiperazin-1-yl)-N-(tert-butylcarbamoyl)acetamide (PubChem CID 2496927) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(tert-butylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(tert-butylcarbamoyl)acetamide
PubChem CID2496927
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(tert-butylcarbamoyl)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H28N4O2/c1-18(2,3)20-17(24)19-16(23)14-22-11-9-21(10-12-22)13-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3,(H2,19,20,23,24)
InChIKeyAKMOKQKZJMTWSX-UHFFFAOYSA-N
XLogP1.43
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(tert-butylcarbamoyl)acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(tert-butylcarbamoyl)acetamide (CID 2496927) is 2-(4-benzylpiperazin-1-yl)-N-(tert-butylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(tert-butylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(tert-butylcarbamoyl)acetamide is CC(C)(C)NC(=O)NC(=O)CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(tert-butylcarbamoyl)acetamide?
The InChIKey is AKMOKQKZJMTWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-18(2,3)20-17(24)19-16(23)14-22-11-9-21(10-12-22)13-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3,(H2,19,20,23,24).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(tert-butylcarbamoyl)acetamide?
2-(4-benzylpiperazin-1-yl)-N-(tert-butylcarbamoyl)acetamide has a molecular weight of 332.45 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(tert-butylcarbamoyl)acetamide is sourced from PubChem (CID 2496927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).