2-[(4-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one;oxalic acid

C18H25FN2O5 — CID 24746795

IUPAC2-[(4-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one;oxalic acid
SMILESCC1CCN(C(=O)C(C)NCc2ccc(F)cc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C16H23FN2O.C2H2O4/c1-12-7-9-19(10-8-12)16(20)13(2)18-11-14-3-5-15(17)6-4-14;3-1(4)2(5)6/h3-6,12-13,18H,7-11H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyBNKGYMABDFPHAO-UHFFFAOYSA-N
MW368.41 g/mol
LogP1.72
Rot. Bonds4

About 2-[(4-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one;oxalic acid

2-[(4-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one;oxalic acid (PubChem CID 24746795) has the molecular formula C18H25FN2O5 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one;oxalic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one;oxalic acid
PubChem CID24746795
Molecular FormulaC18H25FN2O5
Molecular Weight368.41 g/mol
Exact Mass368.17
IUPAC Name2-[(4-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one;oxalic acid
SMILESCC1CCN(C(=O)C(C)NCc2ccc(F)cc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C16H23FN2O.C2H2O4/c1-12-7-9-19(10-8-12)16(20)13(2)18-11-14-3-5-15(17)6-4-14;3-1(4)2(5)6/h3-6,12-13,18H,7-11H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyBNKGYMABDFPHAO-UHFFFAOYSA-N
XLogP1.72
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one;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

2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 5136453
2-[[2-(cyclopentylamino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 9363380
N-cyclohexyl-2-[(4-fluorophenyl)methylamino]propanamide;oxalic acid
CID 16192831
2-(4-Benzhydryl-piperazin-1-yl)-N-(2-methoxy-ethyl)-acetamide
CID 649238
Ethyl 4-(2,4-difluorobenzyl)-1-piperazinecarboxylate oxalate
CID 2846018
1-(2-fluorobenzyl)-N-(2-phenylethyl)-4-piperidinecarboxamide oxalate
CID 2903381
1-(2-Methyl-3-phenyl-allyl)-piperidine-4-carboxylic acid butylamide
CID 9549461
N-{2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-oxalamic acid
CID 10389844
N-benzhydryl-2-(2-methylpiperidin-1-yl)acetamide;oxalic acid
CID 16189489
N-[2-(4-fluorophenyl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide;oxalic acid
CID 16192685
N-benzhydryl-2-(4-benzylpiperazin-1-yl)acetamide;oxalic acid
CID 16195274
N-[(4-fluorophenyl)methyl]-2-[(2-methylcyclohexyl)amino]acetamide;oxalic acid
CID 16196199

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one;oxalic acid?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one;oxalic acid (CID 24746795) is 2-[(4-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one;oxalic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one;oxalic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one;oxalic acid is CC1CCN(C(=O)C(C)NCc2ccc(F)cc2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one;oxalic acid?
The InChIKey is BNKGYMABDFPHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O.C2H2O4/c1-12-7-9-19(10-8-12)16(20)13(2)18-11-14-3-5-15(17)6-4-14;3-1(4)2(5)6/h3-6,12-13,18H,7-11H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 2-[(4-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one;oxalic acid?
2-[(4-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one;oxalic acid has a molecular weight of 368.41 g/mol, XLogP of 1.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one;oxalic acid is sourced from PubChem (CID 24746795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).