N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide

C19H23FN4O — CID 127027737

IUPACN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
SMILESO=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1ccncc1
InChIInChI=1S/C19H23FN4O/c20-17-2-4-18(5-3-17)24-14-12-23(13-15-24)11-1-8-22-19(25)16-6-9-21-10-7-16/h2-7,9-10H,1,8,11-15H2,(H,22,25)
InChIKeyUEQGRPBCHZRURB-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.16
Rot. Bonds6

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

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide (PubChem CID 127027737) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
PubChem CID127027737
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
SMILESO=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1ccncc1
InChIInChI=1S/C19H23FN4O/c20-17-2-4-18(5-3-17)24-14-12-23(13-15-24)11-1-8-22-19(25)16-6-9-21-10-7-16/h2-7,9-10H,1,8,11-15H2,(H,22,25)
InChIKeyUEQGRPBCHZRURB-UHFFFAOYSA-N
XLogP2.16
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide (CID 127027737) is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide is O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1ccncc1.
What is the InChIKey of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide?
The InChIKey is UEQGRPBCHZRURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c20-17-2-4-18(5-3-17)24-14-12-23(13-15-24)11-1-8-22-19(25)16-6-9-21-10-7-16/h2-7,9-10H,1,8,11-15H2,(H,22,25).
What are the key properties of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide?
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide is sourced from PubChem (CID 127027737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).