N-(furan-2-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide

C19H23N3O3 — CID 113161012

IUPACN-(furan-2-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)Cc1ccco1
InChIInChI=1S/C19H23N3O3/c1-16(23)22(14-18-8-5-13-25-18)15-19(24)21-11-9-20(10-12-21)17-6-3-2-4-7-17/h2-8,13H,9-12,14-15H2,1H3
InChIKeyCCPAHCXNJQBJGS-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.98
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide

N-(furan-2-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide (PubChem CID 113161012) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
PubChem CID113161012
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-(furan-2-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)Cc1ccco1
InChIInChI=1S/C19H23N3O3/c1-16(23)22(14-18-8-5-13-25-18)15-19(24)21-11-9-20(10-12-21)17-6-3-2-4-7-17/h2-8,13H,9-12,14-15H2,1H3
InChIKeyCCPAHCXNJQBJGS-UHFFFAOYSA-N
XLogP1.98
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113161025
N-(furan-2-ylmethyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113160970
N-[(2-fluorophenyl)methyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113162185
N-(2-methylpropyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113158861
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113163244
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)acetamide
CID 113118002
N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113118231
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide
CID 113161044
N-[(2-methylphenyl)methyl]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113161416
N-(2,6-dimethylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113168676
N-[2-(cyclohexen-1-yl)ethyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113159653
N-[2-(3-chlorophenyl)ethyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113166895

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide (CID 113161012) is N-(furan-2-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide is CC(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
The InChIKey is CCPAHCXNJQBJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-16(23)22(14-18-8-5-13-25-18)15-19(24)21-11-9-20(10-12-21)17-6-3-2-4-7-17/h2-8,13H,9-12,14-15H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
N-(furan-2-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide has a molecular weight of 341.41 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 113161012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).