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

C18H22N4O3 — CID 2697478

IUPACN-(furan-2-ylmethylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)NC(=O)NCc1ccco1
InChIInChI=1S/C18H22N4O3/c23-17(20-18(24)19-13-16-7-4-12-25-16)14-21-8-10-22(11-9-21)15-5-2-1-3-6-15/h1-7,12H,8-11,13-14H2,(H2,19,20,23,24)
InChIKeyWFAIUAJKINBKML-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.43
Rot. Bonds5

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

N-(furan-2-ylmethylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 2697478) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(furan-2-ylmethylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID2697478
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(furan-2-ylmethylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)NC(=O)NCc1ccco1
InChIInChI=1S/C18H22N4O3/c23-17(20-18(24)19-13-16-7-4-12-25-16)14-21-8-10-22(11-9-21)15-5-2-1-3-6-15/h1-7,12H,8-11,13-14H2,(H2,19,20,23,24)
InChIKeyWFAIUAJKINBKML-UHFFFAOYSA-N
XLogP1.43
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide (CID 2697478) is N-(furan-2-ylmethylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ccccc2)CC1)NC(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is WFAIUAJKINBKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-17(20-18(24)19-13-16-7-4-12-25-16)14-21-8-10-22(11-9-21)15-5-2-1-3-6-15/h1-7,12H,8-11,13-14H2,(H2,19,20,23,24).
What are the key properties of N-(furan-2-ylmethylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide?
N-(furan-2-ylmethylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 342.40 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 2697478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).