2-(4-benzoylpiperazin-1-ium-1-yl)-N-(furan-2-ylmethyl)acetamide

C18H22N3O3+ — CID 9223461

IUPAC2-(4-benzoylpiperazin-1-ium-1-yl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(C[NH+]1CCN(C(=O)c2ccccc2)CC1)NCc1ccco1
InChIInChI=1S/C18H21N3O3/c22-17(19-13-16-7-4-12-24-16)14-20-8-10-21(11-9-20)18(23)15-5-2-1-3-6-15/h1-7,12H,8-11,13-14H2,(H,19,22)/p+1
InChIKeySFNXWZSAFNTGPH-UHFFFAOYSA-O
MW328.39 g/mol
LogP-0.06
Rot. Bonds5

About 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(furan-2-ylmethyl)acetamide

2-(4-benzoylpiperazin-1-ium-1-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 9223461) has the molecular formula C18H22N3O3+ and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-ium-1-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID9223461
Molecular FormulaC18H22N3O3+
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name2-(4-benzoylpiperazin-1-ium-1-yl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(C[NH+]1CCN(C(=O)c2ccccc2)CC1)NCc1ccco1
InChIInChI=1S/C18H21N3O3/c22-17(19-13-16-7-4-12-24-16)14-20-8-10-21(11-9-20)18(23)15-5-2-1-3-6-15/h1-7,12H,8-11,13-14H2,(H,19,22)/p+1
InChIKeySFNXWZSAFNTGPH-UHFFFAOYSA-O
XLogP-0.06
TPSA66.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 8597391
N-(furan-2-ylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 8745661
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 9286763
2-(4-benzoylpiperazin-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide
CID 9254974
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 9223403
N-(furan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044221
2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 9223309
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2S)-butan-2-yl]acetamide
CID 9223695
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-chlorophenyl)acetamide
CID 9223569
N-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 93199355
4-benzoyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-1-carboxamide
CID 17461318
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 8597441

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(furan-2-ylmethyl)acetamide (CID 9223461) is 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(furan-2-ylmethyl)acetamide is O=C(C[NH+]1CCN(C(=O)c2ccccc2)CC1)NCc1ccco1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is SFNXWZSAFNTGPH-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H21N3O3/c22-17(19-13-16-7-4-12-24-16)14-20-8-10-21(11-9-20)18(23)15-5-2-1-3-6-15/h1-7,12H,8-11,13-14H2,(H,19,22)/p+1.
What are the key properties of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(furan-2-ylmethyl)acetamide?
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 328.39 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 9223461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).