6-(3,4-difluoroanilino)-N-(3-piperidin-4-ylphenyl)hexanamide

C23H29F2N3O — CID 10023999

IUPAC6-(3,4-difluoroanilino)-N-(3-piperidin-4-ylphenyl)hexanamide
SMILESO=C(CCCCCNc1ccc(F)c(F)c1)Nc1cccc(C2CCNCC2)c1
InChIInChI=1S/C23H29F2N3O/c24-21-9-8-19(16-22(21)25)27-12-3-1-2-7-23(29)28-20-6-4-5-18(15-20)17-10-13-26-14-11-17/h4-6,8-9,15-17,26-27H,1-3,7,10-14H2,(H,28,29)
InChIKeySDLKTDAJGGCHKG-UHFFFAOYSA-N
MW401.50 g/mol
LogP5.04
Rot. Bonds9

About 6-(3,4-difluoroanilino)-N-(3-piperidin-4-ylphenyl)hexanamide

6-(3,4-difluoroanilino)-N-(3-piperidin-4-ylphenyl)hexanamide (PubChem CID 10023999) has the molecular formula C23H29F2N3O and a molecular weight of 401.50 g/mol. Its IUPAC name is 6-(3,4-difluoroanilino)-N-(3-piperidin-4-ylphenyl)hexanamide.

Molecular Properties

Compound Name6-(3,4-difluoroanilino)-N-(3-piperidin-4-ylphenyl)hexanamide
PubChem CID10023999
Molecular FormulaC23H29F2N3O
Molecular Weight401.50 g/mol
Exact Mass401.23
IUPAC Name6-(3,4-difluoroanilino)-N-(3-piperidin-4-ylphenyl)hexanamide
SMILESO=C(CCCCCNc1ccc(F)c(F)c1)Nc1cccc(C2CCNCC2)c1
InChIInChI=1S/C23H29F2N3O/c24-21-9-8-19(16-22(21)25)27-12-3-1-2-7-23(29)28-20-6-4-5-18(15-20)17-10-13-26-14-11-17/h4-6,8-9,15-17,26-27H,1-3,7,10-14H2,(H,28,29)
InChIKeySDLKTDAJGGCHKG-UHFFFAOYSA-N
XLogP5.04
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.50
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-phenoxyphenyl)-N-(3-piperidin-4-ylphenyl)pentanamide
CID 11475881
2-(5-fluoro-2-methoxyphenyl)-N-(3-piperidin-4-ylphenyl)acetamide
CID 172895402
N-(3,4-difluorophenyl)-N'-hydroxyoctanediamide
CID 58624316
3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide
CID 109041188
3-(3-bromoanilino)-N-(3,4-difluorophenyl)propanamide
CID 109042183
3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide
CID 109034228
N-(2-fluoro-5-piperidin-4-ylphenyl)-5-(3-methoxyphenyl)pentanamide
CID 174445363
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
5-chloro-N-(3,4-difluorophenyl)pentanamide
CID 28971468
5-(3,4-difluoroanilino)pentanoic acid
CID 28972140
N-(3,4-difluorophenyl)-4-(methylamino)butanamide
CID 60843097
N-(3-bromo-4-fluorophenyl)-3-piperidin-4-ylpropanamide
CID 115870611

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluoroanilino)-N-(3-piperidin-4-ylphenyl)hexanamide?
The IUPAC name of 6-(3,4-difluoroanilino)-N-(3-piperidin-4-ylphenyl)hexanamide (CID 10023999) is 6-(3,4-difluoroanilino)-N-(3-piperidin-4-ylphenyl)hexanamide.
What is the SMILES notation for 6-(3,4-difluoroanilino)-N-(3-piperidin-4-ylphenyl)hexanamide?
The canonical SMILES for 6-(3,4-difluoroanilino)-N-(3-piperidin-4-ylphenyl)hexanamide is O=C(CCCCCNc1ccc(F)c(F)c1)Nc1cccc(C2CCNCC2)c1.
What is the InChIKey of 6-(3,4-difluoroanilino)-N-(3-piperidin-4-ylphenyl)hexanamide?
The InChIKey is SDLKTDAJGGCHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N3O/c24-21-9-8-19(16-22(21)25)27-12-3-1-2-7-23(29)28-20-6-4-5-18(15-20)17-10-13-26-14-11-17/h4-6,8-9,15-17,26-27H,1-3,7,10-14H2,(H,28,29).
What are the key properties of 6-(3,4-difluoroanilino)-N-(3-piperidin-4-ylphenyl)hexanamide?
6-(3,4-difluoroanilino)-N-(3-piperidin-4-ylphenyl)hexanamide has a molecular weight of 401.50 g/mol, XLogP of 5.04, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluoroanilino)-N-(3-piperidin-4-ylphenyl)hexanamide is sourced from PubChem (CID 10023999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).