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

C17H19N3O3 — CID 31151705

IUPAC2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(C(=O)c2ccoc2)CC1)Nc1ccccc1
InChIInChI=1S/C17H19N3O3/c21-16(18-15-4-2-1-3-5-15)12-19-7-9-20(10-8-19)17(22)14-6-11-23-13-14/h1-6,11,13H,7-10,12H2,(H,18,21)
InChIKeyIGWNVYWAKUDAGA-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.68
Rot. Bonds4

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

2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-phenylacetamide (PubChem CID 31151705) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-phenylacetamide
PubChem CID31151705
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(C(=O)c2ccoc2)CC1)Nc1ccccc1
InChIInChI=1S/C17H19N3O3/c21-16(18-15-4-2-1-3-5-15)12-19-7-9-20(10-8-19)17(22)14-6-11-23-13-14/h1-6,11,13H,7-10,12H2,(H,18,21)
InChIKeyIGWNVYWAKUDAGA-UHFFFAOYSA-N
XLogP1.68
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]acetamide
CID 31150749
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149355
2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 34432781
2-[4-(1-oxidopyridin-1-ium-4-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31149940
2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 34833982
2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 9223614
2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide
CID 9223540
N-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]acetamide
CID 35358737
2-(4-benzoylpiperazin-1-yl)-N-(4-cyanophenyl)acetamide
CID 9223598
N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-yl)acetamide
CID 9327985
2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 31151577

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-phenylacetamide (CID 31151705) is 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-phenylacetamide is O=C(CN1CCN(C(=O)c2ccoc2)CC1)Nc1ccccc1.
What is the InChIKey of 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-phenylacetamide?
The InChIKey is IGWNVYWAKUDAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-16(18-15-4-2-1-3-5-15)12-19-7-9-20(10-8-19)17(22)14-6-11-23-13-14/h1-6,11,13H,7-10,12H2,(H,18,21).
What are the key properties of 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-phenylacetamide?
2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-phenylacetamide has a molecular weight of 313.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 31151705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).