1-(2,4-difluorobenzoyl)-N-(4-phenylbutyl)piperidine-4-carboxamide

C23H26F2N2O2 — CID 24596971

IUPAC1-(2,4-difluorobenzoyl)-N-(4-phenylbutyl)piperidine-4-carboxamide
SMILESO=C(NCCCCc1ccccc1)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C23H26F2N2O2/c24-19-9-10-20(21(25)16-19)23(29)27-14-11-18(12-15-27)22(28)26-13-5-4-8-17-6-2-1-3-7-17/h1-3,6-7,9-10,16,18H,4-5,8,11-15H2,(H,26,28)
InChIKeyFJQCECVZXBZDIQ-UHFFFAOYSA-N
MW400.47 g/mol
LogP3.96
Rot. Bonds7

About 1-(2,4-difluorobenzoyl)-N-(4-phenylbutyl)piperidine-4-carboxamide

1-(2,4-difluorobenzoyl)-N-(4-phenylbutyl)piperidine-4-carboxamide (PubChem CID 24596971) has the molecular formula C23H26F2N2O2 and a molecular weight of 400.47 g/mol. Its IUPAC name is 1-(2,4-difluorobenzoyl)-N-(4-phenylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorobenzoyl)-N-(4-phenylbutyl)piperidine-4-carboxamide
PubChem CID24596971
Molecular FormulaC23H26F2N2O2
Molecular Weight400.47 g/mol
Exact Mass400.20
IUPAC Name1-(2,4-difluorobenzoyl)-N-(4-phenylbutyl)piperidine-4-carboxamide
SMILESO=C(NCCCCc1ccccc1)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C23H26F2N2O2/c24-19-9-10-20(21(25)16-19)23(29)27-14-11-18(12-15-27)22(28)26-13-5-4-8-17-6-2-1-3-7-17/h1-3,6-7,9-10,16,18H,4-5,8,11-15H2,(H,26,28)
InChIKeyFJQCECVZXBZDIQ-UHFFFAOYSA-N
XLogP3.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 53.96
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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Related Compounds

3-[[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177053
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119506667
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119506666
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
N-[(2R)-2-(diethylamino)-3-phenylpropyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 30904401
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108560102
N-[2-(diethylamino)-2-phenylethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 24649842
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 41447922
1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 48866857
N-(2-anilinophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 112772245
1-(2,4-difluorobenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 51192084
N-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27647213

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorobenzoyl)-N-(4-phenylbutyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-difluorobenzoyl)-N-(4-phenylbutyl)piperidine-4-carboxamide (CID 24596971) is 1-(2,4-difluorobenzoyl)-N-(4-phenylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorobenzoyl)-N-(4-phenylbutyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorobenzoyl)-N-(4-phenylbutyl)piperidine-4-carboxamide is O=C(NCCCCc1ccccc1)C1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorobenzoyl)-N-(4-phenylbutyl)piperidine-4-carboxamide?
The InChIKey is FJQCECVZXBZDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O2/c24-19-9-10-20(21(25)16-19)23(29)27-14-11-18(12-15-27)22(28)26-13-5-4-8-17-6-2-1-3-7-17/h1-3,6-7,9-10,16,18H,4-5,8,11-15H2,(H,26,28).
What are the key properties of 1-(2,4-difluorobenzoyl)-N-(4-phenylbutyl)piperidine-4-carboxamide?
1-(2,4-difluorobenzoyl)-N-(4-phenylbutyl)piperidine-4-carboxamide has a molecular weight of 400.47 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorobenzoyl)-N-(4-phenylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 24596971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).