N-(3-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;oxalic acid

C19H21FN4O5 — CID 24841952

IUPACN-(3-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;oxalic acid
SMILESO=C(CN1CCN(c2ccccn2)CC1)Nc1cccc(F)c1.O=C(O)C(=O)O
InChIInChI=1S/C17H19FN4O.C2H2O4/c18-14-4-3-5-15(12-14)20-17(23)13-21-8-10-22(11-9-21)16-6-1-2-7-19-16;3-1(4)2(5)6/h1-7,12H,8-11,13H2,(H,20,23);(H,3,4)(H,5,6)
InChIKeySGXXXMMKXPZWBL-UHFFFAOYSA-N
MW404.40 g/mol
LogP1.14
Rot. Bonds4

About N-(3-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;oxalic acid

N-(3-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;oxalic acid (PubChem CID 24841952) has the molecular formula C19H21FN4O5 and a molecular weight of 404.40 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;oxalic acid.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;oxalic acid
PubChem CID24841952
Molecular FormulaC19H21FN4O5
Molecular Weight404.40 g/mol
Exact Mass404.15
IUPAC NameN-(3-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;oxalic acid
SMILESO=C(CN1CCN(c2ccccn2)CC1)Nc1cccc(F)c1.O=C(O)C(=O)O
InChIInChI=1S/C17H19FN4O.C2H2O4/c18-14-4-3-5-15(12-14)20-17(23)13-21-8-10-22(11-9-21)16-6-1-2-7-19-16;3-1(4)2(5)6/h1-7,12H,8-11,13H2,(H,20,23);(H,3,4)(H,5,6)
InChIKeySGXXXMMKXPZWBL-UHFFFAOYSA-N
XLogP1.14
TPSA123.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(3-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-Difluorophenyl)-4-(2-pyridinyl)-1-piperazineacetamide
CID 3547487
N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 4595252
N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4780744
N-(5-fluoro-2-methylphenyl)-2-[4-(2-pyridinyl)piperazino]acetamide
CID 4568965
N-[4-(diethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 5056435
N-(3-methylphenyl)-2-[4-(pyridin-2-yl)piperazin-1-yl]acetamide
CID 4797946
N-(3,4-difluorophenyl)-2-[4-(pyridin-2-yl)piperazin-1-yl]acetamide
CID 727072
N-(3-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 759035
2-(4-Pyridin-2-yl-piperazin-1-yl)-N-(3-trifluoromethyl-phenyl)-acetamide
CID 655692
1-Piperazinepropanamide, N-(4-aminophenyl)-4-(2-pyridinyl)-
CID 3070500
1-Piperazinepropanamide, N-phenyl-4-(2-pyridinyl)-
CID 3070506
2-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]-N-pyridin-2-ylacetamide
CID 1294333

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;oxalic acid?
The IUPAC name of N-(3-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;oxalic acid (CID 24841952) is N-(3-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;oxalic acid.
What is the SMILES notation for N-(3-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;oxalic acid?
The canonical SMILES for N-(3-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;oxalic acid is O=C(CN1CCN(c2ccccn2)CC1)Nc1cccc(F)c1.O=C(O)C(=O)O.
What is the InChIKey of N-(3-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;oxalic acid?
The InChIKey is SGXXXMMKXPZWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O.C2H2O4/c18-14-4-3-5-15(12-14)20-17(23)13-21-8-10-22(11-9-21)16-6-1-2-7-19-16;3-1(4)2(5)6/h1-7,12H,8-11,13H2,(H,20,23);(H,3,4)(H,5,6).
What are the key properties of N-(3-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;oxalic acid?
N-(3-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;oxalic acid has a molecular weight of 404.40 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;oxalic acid is sourced from PubChem (CID 24841952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).