N-[4-(2,4-difluorophenyl)phenyl]-5-piperidin-1-ylpentanamide

C22H26F2N2O — CID 45484373

IUPACN-[4-(2,4-difluorophenyl)phenyl]-5-piperidin-1-ylpentanamide
SMILESO=C(CCCCN1CCCCC1)Nc1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C22H26F2N2O/c23-18-9-12-20(21(24)16-18)17-7-10-19(11-8-17)25-22(27)6-2-5-15-26-13-3-1-4-14-26/h7-12,16H,1-6,13-15H2,(H,25,27)
InChIKeyOHJVTMQWHLHCQT-UHFFFAOYSA-N
MW372.46 g/mol
LogP5.23
Rot. Bonds7

About N-[4-(2,4-difluorophenyl)phenyl]-5-piperidin-1-ylpentanamide

N-[4-(2,4-difluorophenyl)phenyl]-5-piperidin-1-ylpentanamide (PubChem CID 45484373) has the molecular formula C22H26F2N2O and a molecular weight of 372.46 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenyl)phenyl]-5-piperidin-1-ylpentanamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenyl)phenyl]-5-piperidin-1-ylpentanamide
PubChem CID45484373
Molecular FormulaC22H26F2N2O
Molecular Weight372.46 g/mol
Exact Mass372.20
IUPAC NameN-[4-(2,4-difluorophenyl)phenyl]-5-piperidin-1-ylpentanamide
SMILESO=C(CCCCN1CCCCC1)Nc1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C22H26F2N2O/c23-18-9-12-20(21(24)16-18)17-7-10-19(11-8-17)25-22(27)6-2-5-15-26-13-3-1-4-14-26/h7-12,16H,1-6,13-15H2,(H,25,27)
InChIKeyOHJVTMQWHLHCQT-UHFFFAOYSA-N
XLogP5.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.46
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenyl)phenyl]-5-piperidin-1-ylpentanamide?
The IUPAC name of N-[4-(2,4-difluorophenyl)phenyl]-5-piperidin-1-ylpentanamide (CID 45484373) is N-[4-(2,4-difluorophenyl)phenyl]-5-piperidin-1-ylpentanamide.
What is the SMILES notation for N-[4-(2,4-difluorophenyl)phenyl]-5-piperidin-1-ylpentanamide?
The canonical SMILES for N-[4-(2,4-difluorophenyl)phenyl]-5-piperidin-1-ylpentanamide is O=C(CCCCN1CCCCC1)Nc1ccc(-c2ccc(F)cc2F)cc1.
What is the InChIKey of N-[4-(2,4-difluorophenyl)phenyl]-5-piperidin-1-ylpentanamide?
The InChIKey is OHJVTMQWHLHCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O/c23-18-9-12-20(21(24)16-18)17-7-10-19(11-8-17)25-22(27)6-2-5-15-26-13-3-1-4-14-26/h7-12,16H,1-6,13-15H2,(H,25,27).
What are the key properties of N-[4-(2,4-difluorophenyl)phenyl]-5-piperidin-1-ylpentanamide?
N-[4-(2,4-difluorophenyl)phenyl]-5-piperidin-1-ylpentanamide has a molecular weight of 372.46 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenyl)phenyl]-5-piperidin-1-ylpentanamide is sourced from PubChem (CID 45484373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).