2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide

C16H21FN3O2+ — CID 9022112

IUPAC2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(C[NH+]1CCN(C(=O)C2CC2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C16H20FN3O2/c17-13-3-5-14(6-4-13)18-15(21)11-19-7-9-20(10-8-19)16(22)12-1-2-12/h3-6,12H,1-2,7-11H2,(H,18,21)/p+1
InChIKeyPQVFETDOVSCNLQ-UHFFFAOYSA-O
MW306.36 g/mol
LogP-0.10
Rot. Bonds4

About 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide

2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 9022112) has the molecular formula C16H21FN3O2+ and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID9022112
Molecular FormulaC16H21FN3O2+
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(C[NH+]1CCN(C(=O)C2CC2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C16H20FN3O2/c17-13-3-5-14(6-4-13)18-15(21)11-19-7-9-20(10-8-19)16(22)12-1-2-12/h3-6,12H,1-2,7-11H2,(H,18,21)/p+1
InChIKeyPQVFETDOVSCNLQ-UHFFFAOYSA-O
XLogP-0.10
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 8704189
2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2478164
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-(4-fluorophenyl)acetamide
CID 112502808
2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 9223309
N-(2-chlorophenyl)-2-[4-[(4-fluorophenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide
CID 9214651
N-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 3675075
N-(4-fluorophenyl)-2-[4-(1H-indole-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 9405101
2-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide
CID 8749252
(3S)-1-[2-(4-fluoroanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305589
2-[4-[2-(3,4-dimethylphenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide
CID 8787483
2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 6978065
2-[4-(cyclopentanecarbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429538

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide (CID 9022112) is 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide is O=C(C[NH+]1CCN(C(=O)C2CC2)CC1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is PQVFETDOVSCNLQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H20FN3O2/c17-13-3-5-14(6-4-13)18-15(21)11-19-7-9-20(10-8-19)16(22)12-1-2-12/h3-6,12H,1-2,7-11H2,(H,18,21)/p+1.
What are the key properties of 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide?
2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 306.36 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 9022112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).