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

C25H28N4O3 — CID 2161087

IUPAC2-(4-benzhydrylpiperazin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)NC(=O)NCc1ccco1
InChIInChI=1S/C25H28N4O3/c30-23(27-25(31)26-18-22-12-7-17-32-22)19-28-13-15-29(16-14-28)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-12,17,24H,13-16,18-19H2,(H2,26,27,30,31)
InChIKeyMXJFLLRXLPSDJA-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.01
Rot. Bonds7

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

2-(4-benzhydrylpiperazin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide (PubChem CID 2161087) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide
PubChem CID2161087
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)NC(=O)NCc1ccco1
InChIInChI=1S/C25H28N4O3/c30-23(27-25(31)26-18-22-12-7-17-32-22)19-28-13-15-29(16-14-28)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-12,17,24H,13-16,18-19H2,(H2,26,27,30,31)
InChIKeyMXJFLLRXLPSDJA-UHFFFAOYSA-N
XLogP3.01
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide (CID 2161087) is 2-(4-benzhydrylpiperazin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide is O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)NC(=O)NCc1ccco1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide?
The InChIKey is MXJFLLRXLPSDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c30-23(27-25(31)26-18-22-12-7-17-32-22)19-28-13-15-29(16-14-28)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-12,17,24H,13-16,18-19H2,(H2,26,27,30,31).
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide?
2-(4-benzhydrylpiperazin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide has a molecular weight of 432.52 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 2161087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).