N-(furan-2-ylmethylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide

C18H22N4O4 — CID 2086311

IUPACN-(furan-2-ylmethylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccc(O)cc2)CC1)NC(=O)NCc1ccco1
InChIInChI=1S/C18H22N4O4/c23-15-5-3-14(4-6-15)22-9-7-21(8-10-22)13-17(24)20-18(25)19-12-16-2-1-11-26-16/h1-6,11,23H,7-10,12-13H2,(H2,19,20,24,25)
InChIKeyOHCDFZMCCJMYTE-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.13
Rot. Bonds5

About N-(furan-2-ylmethylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide

N-(furan-2-ylmethylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide (PubChem CID 2086311) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(furan-2-ylmethylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
PubChem CID2086311
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC NameN-(furan-2-ylmethylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccc(O)cc2)CC1)NC(=O)NCc1ccco1
InChIInChI=1S/C18H22N4O4/c23-15-5-3-14(4-6-15)22-9-7-21(8-10-22)13-17(24)20-18(25)19-12-16-2-1-11-26-16/h1-6,11,23H,7-10,12-13H2,(H2,19,20,24,25)
InChIKeyOHCDFZMCCJMYTE-UHFFFAOYSA-N
XLogP1.13
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(furan-2-ylmethylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide (CID 2086311) is N-(furan-2-ylmethylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide is O=C(CN1CCN(c2ccc(O)cc2)CC1)NC(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is OHCDFZMCCJMYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c23-15-5-3-14(4-6-15)22-9-7-21(8-10-22)13-17(24)20-18(25)19-12-16-2-1-11-26-16/h1-6,11,23H,7-10,12-13H2,(H2,19,20,24,25).
What are the key properties of N-(furan-2-ylmethylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
N-(furan-2-ylmethylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 358.40 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 2086311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).