2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide

C18H21N3O3 — CID 8932674

IUPAC2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C18H21N3O3/c1-14-4-2-5-15(12-14)19-17(22)13-20-7-9-21(10-8-20)18(23)16-6-3-11-24-16/h2-6,11-12H,7-10,13H2,1H3,(H,19,22)
InChIKeyHQPSVZCYHSYXOB-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.98
Rot. Bonds4

About 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 8932674) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID8932674
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C18H21N3O3/c1-14-4-2-5-15(12-14)19-17(22)13-20-7-9-21(10-8-20)18(23)16-6-3-11-24-16/h2-6,11-12H,7-10,13H2,1H3,(H,19,22)
InChIKeyHQPSVZCYHSYXOB-UHFFFAOYSA-N
XLogP1.98
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-N-methylbenzamide
CID 8549513
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide
CID 1452101
N-(2-fluoro-4-methylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 8932787
N-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 6470859
3-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide
CID 108965538
N-(3-acetamidophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030207
N-(2-ethyl-6-methylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 8932507
N-(3,4-dimethylphenyl)-2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide
CID 16909781
N'-acetyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetohydrazide
CID 8548952
N-(3-chloro-4-cyanophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 3539401
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 6472660

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide (CID 8932674) is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c1.
What is the InChIKey of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is HQPSVZCYHSYXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-14-4-2-5-15(12-14)19-17(22)13-20-7-9-21(10-8-20)18(23)16-6-3-11-24-16/h2-6,11-12H,7-10,13H2,1H3,(H,19,22).
What are the key properties of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide?
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 327.38 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 8932674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).