N-(furan-2-ylmethyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide

C19H23N3O4 — CID 35227342

IUPACN-(furan-2-ylmethyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
SMILESCOc1cccc(C(=O)N2CCN(CC(=O)NCc3ccco3)CC2)c1
InChIInChI=1S/C19H23N3O4/c1-25-16-5-2-4-15(12-16)19(24)22-9-7-21(8-10-22)14-18(23)20-13-17-6-3-11-26-17/h2-6,11-12H,7-10,13-14H2,1H3,(H,20,23)
InChIKeyOMMOTSSTUXXAHJ-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.36
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide

N-(furan-2-ylmethyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide (PubChem CID 35227342) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
PubChem CID35227342
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-(furan-2-ylmethyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
SMILESCOc1cccc(C(=O)N2CCN(CC(=O)NCc3ccco3)CC2)c1
InChIInChI=1S/C19H23N3O4/c1-25-16-5-2-4-15(12-16)19(24)22-9-7-21(8-10-22)14-18(23)20-13-17-6-3-11-26-17/h2-6,11-12H,7-10,13-14H2,1H3,(H,20,23)
InChIKeyOMMOTSSTUXXAHJ-UHFFFAOYSA-N
XLogP1.36
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 35148049
2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 35228408
2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 35229915
N-(furan-2-ylmethyl)-2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 3916702
N-[(3-methoxyphenyl)methyl]-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide
CID 86923582
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 37375142
N-cyclooctyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
CID 35227706
2-(4-benzoylpiperazin-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide
CID 9254974
N-(furan-2-ylmethyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053497
N-(2,5-difluorophenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
CID 35228132
N-(furan-2-ylmethyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773300
N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 9102139

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide (CID 35227342) is N-(furan-2-ylmethyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide is COc1cccc(C(=O)N2CCN(CC(=O)NCc3ccco3)CC2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide?
The InChIKey is OMMOTSSTUXXAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-25-16-5-2-4-15(12-16)19(24)22-9-7-21(8-10-22)14-18(23)20-13-17-6-3-11-26-17/h2-6,11-12H,7-10,13-14H2,1H3,(H,20,23).
What are the key properties of N-(furan-2-ylmethyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide?
N-(furan-2-ylmethyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide has a molecular weight of 357.41 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 35227342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).