2-[[1-[(4-fluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide

C23H23FN6O3 — CID 118005766

IUPAC2-[[1-[(4-fluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2(c3ccccc3)CCN(C(=O)Nc3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C23H23FN6O3/c24-18-6-8-19(9-7-18)27-22(32)30-12-10-23(11-13-30,17-4-2-1-3-5-17)28-21-25-14-16(15-26-21)20(31)29-33/h1-9,14-15,33H,10-13H2,(H,27,32)(H,29,31)(H,25,26,28)
InChIKeyOTLJTZYWUNDMTL-UHFFFAOYSA-N
MW450.47 g/mol
LogP3.37
Rot. Bonds5

About 2-[[1-[(4-fluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide

2-[[1-[(4-fluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 118005766) has the molecular formula C23H23FN6O3 and a molecular weight of 450.47 g/mol. Its IUPAC name is 2-[[1-[(4-fluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[1-[(4-fluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide
PubChem CID118005766
Molecular FormulaC23H23FN6O3
Molecular Weight450.47 g/mol
Exact Mass450.18
IUPAC Name2-[[1-[(4-fluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2(c3ccccc3)CCN(C(=O)Nc3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C23H23FN6O3/c24-18-6-8-19(9-7-18)27-22(32)30-12-10-23(11-13-30,17-4-2-1-3-5-17)28-21-25-14-16(15-26-21)20(31)29-33/h1-9,14-15,33H,10-13H2,(H,27,32)(H,29,31)(H,25,26,28)
InChIKeyOTLJTZYWUNDMTL-UHFFFAOYSA-N
XLogP3.37
TPSA119.48 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 53.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[1-[(4-fluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(4-fluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[[1-[(4-fluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide (CID 118005766) is 2-[[1-[(4-fluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[1-[(4-fluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[[1-[(4-fluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide is O=C(NO)c1cnc(NC2(c3ccccc3)CCN(C(=O)Nc3ccc(F)cc3)CC2)nc1.
What is the InChIKey of 2-[[1-[(4-fluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is OTLJTZYWUNDMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O3/c24-18-6-8-19(9-7-18)27-22(32)30-12-10-23(11-13-30,17-4-2-1-3-5-17)28-21-25-14-16(15-26-21)20(31)29-33/h1-9,14-15,33H,10-13H2,(H,27,32)(H,29,31)(H,25,26,28).
What are the key properties of 2-[[1-[(4-fluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
2-[[1-[(4-fluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 450.47 g/mol, XLogP of 3.37, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(4-fluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 118005766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).