N-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyridine-4-carboxamide;hydrochloride

C26H29ClF2N4O — CID 127027746

IUPACN-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyridine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccncc1
InChIInChI=1S/C26H28F2N4O.ClH/c27-23-6-2-20(3-7-23)25(21-4-8-24(28)9-5-21)32-18-16-31(17-19-32)15-1-12-30-26(33)22-10-13-29-14-11-22;/h2-11,13-14,25H,1,12,15-19H2,(H,30,33);1H
InChIKeyNWVQWEATHIBBPB-UHFFFAOYSA-N
MW486.99 g/mol
LogP4.31
Rot. Bonds8

About N-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyridine-4-carboxamide;hydrochloride

N-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyridine-4-carboxamide;hydrochloride (PubChem CID 127027746) has the molecular formula C26H29ClF2N4O and a molecular weight of 486.99 g/mol. Its IUPAC name is N-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyridine-4-carboxamide;hydrochloride
PubChem CID127027746
Molecular FormulaC26H29ClF2N4O
Molecular Weight486.99 g/mol
Exact Mass486.20
IUPAC NameN-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyridine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccncc1
InChIInChI=1S/C26H28F2N4O.ClH/c27-23-6-2-20(3-7-23)25(21-4-8-24(28)9-5-21)32-18-16-31(17-19-32)15-1-12-30-26(33)22-10-13-29-14-11-22;/h2-11,13-14,25H,1,12,15-19H2,(H,30,33);1H
InChIKeyNWVQWEATHIBBPB-UHFFFAOYSA-N
XLogP4.31
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.99
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyridine-4-carboxamide;hydrochloride 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 N-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyridine-4-carboxamide;hydrochloride (CID 127027746) is N-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyridine-4-carboxamide;hydrochloride is Cl.O=C(NCCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccncc1.
What is the InChIKey of N-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyridine-4-carboxamide;hydrochloride?
The InChIKey is NWVQWEATHIBBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N4O.ClH/c27-23-6-2-20(3-7-23)25(21-4-8-24(28)9-5-21)32-18-16-31(17-19-32)15-1-12-30-26(33)22-10-13-29-14-11-22;/h2-11,13-14,25H,1,12,15-19H2,(H,30,33);1H.
What are the key properties of N-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyridine-4-carboxamide;hydrochloride?
N-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyridine-4-carboxamide;hydrochloride has a molecular weight of 486.99 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 127027746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).