2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide

C19H24N4O3 — CID 2090468

IUPAC2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)NC(=O)NCc1ccco1
InChIInChI=1S/C19H24N4O3/c24-18(21-19(25)20-13-17-7-4-12-26-17)15-23-10-8-22(9-11-23)14-16-5-2-1-3-6-16/h1-7,12H,8-11,13-15H2,(H2,20,21,24,25)
InChIKeyHRBFYCZKAJFIKX-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.42
Rot. Bonds6

About 2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide

2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide (PubChem CID 2090468) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide
PubChem CID2090468
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)NC(=O)NCc1ccco1
InChIInChI=1S/C19H24N4O3/c24-18(21-19(25)20-13-17-7-4-12-26-17)15-23-10-8-22(9-11-23)14-16-5-2-1-3-6-16/h1-7,12H,8-11,13-15H2,(H2,20,21,24,25)
InChIKeyHRBFYCZKAJFIKX-UHFFFAOYSA-N
XLogP1.42
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide (CID 2090468) is 2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide is O=C(CN1CCN(Cc2ccccc2)CC1)NC(=O)NCc1ccco1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide?
The InChIKey is HRBFYCZKAJFIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c24-18(21-19(25)20-13-17-7-4-12-26-17)15-23-10-8-22(9-11-23)14-16-5-2-1-3-6-16/h1-7,12H,8-11,13-15H2,(H2,20,21,24,25).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide?
2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide has a molecular weight of 356.43 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 2090468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).