4-(1-butylpiperidin-4-yl)oxy-N-[4-[2,5-difluoro-4-(pentylcarbamoylamino)phenoxy]phenyl]benzamide

C34H42F2N4O4 — CID 69143674

IUPAC4-(1-butylpiperidin-4-yl)oxy-N-[4-[2,5-difluoro-4-(pentylcarbamoylamino)phenoxy]phenyl]benzamide
SMILESCCCCCNC(=O)Nc1cc(F)c(Oc2ccc(NC(=O)c3ccc(OC4CCN(CCCC)CC4)cc3)cc2)cc1F
InChIInChI=1S/C34H42F2N4O4/c1-3-5-7-18-37-34(42)39-31-22-30(36)32(23-29(31)35)44-27-14-10-25(11-15-27)38-33(41)24-8-12-26(13-9-24)43-28-16-20-40(21-17-28)19-6-4-2/h8-15,22-23,28H,3-7,16-21H2,1-2H3,(H,38,41)(H2,37,39,42)
InChIKeyDLTWTQCQPDJJQT-UHFFFAOYSA-N
MW608.73 g/mol
LogP7.96
Rot. Bonds14

About 4-(1-butylpiperidin-4-yl)oxy-N-[4-[2,5-difluoro-4-(pentylcarbamoylamino)phenoxy]phenyl]benzamide

4-(1-butylpiperidin-4-yl)oxy-N-[4-[2,5-difluoro-4-(pentylcarbamoylamino)phenoxy]phenyl]benzamide (PubChem CID 69143674) has the molecular formula C34H42F2N4O4 and a molecular weight of 608.73 g/mol. Its IUPAC name is 4-(1-butylpiperidin-4-yl)oxy-N-[4-[2,5-difluoro-4-(pentylcarbamoylamino)phenoxy]phenyl]benzamide.

Molecular Properties

Compound Name4-(1-butylpiperidin-4-yl)oxy-N-[4-[2,5-difluoro-4-(pentylcarbamoylamino)phenoxy]phenyl]benzamide
PubChem CID69143674
Molecular FormulaC34H42F2N4O4
Molecular Weight608.73 g/mol
Exact Mass608.32
IUPAC Name4-(1-butylpiperidin-4-yl)oxy-N-[4-[2,5-difluoro-4-(pentylcarbamoylamino)phenoxy]phenyl]benzamide
SMILESCCCCCNC(=O)Nc1cc(F)c(Oc2ccc(NC(=O)c3ccc(OC4CCN(CCCC)CC4)cc3)cc2)cc1F
InChIInChI=1S/C34H42F2N4O4/c1-3-5-7-18-37-34(42)39-31-22-30(36)32(23-29(31)35)44-27-14-10-25(11-15-27)38-33(41)24-8-12-26(13-9-24)43-28-16-20-40(21-17-28)19-6-4-2/h8-15,22-23,28H,3-7,16-21H2,1-2H3,(H,38,41)(H2,37,39,42)
InChIKeyDLTWTQCQPDJJQT-UHFFFAOYSA-N
XLogP7.96
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.73
LogP ≤ 57.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-methoxy-4-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 69143425
4-(1-butylpiperidin-4-yl)oxy-N-[4-[2-ethoxy-4-(pentylcarbamoylamino)phenoxy]phenyl]-N-(2-methoxyethyl)benzamide
CID 69145220
N-[4-[1-(4-hydroxybutyl)piperidin-4-yl]oxyphenyl]-N-[4-[2-methoxy-4-(pentylcarbamoylamino)phenoxy]phenyl]acetamide
CID 69144842
4-(1-butylpiperidin-4-yl)oxy-N-[4-(2-methoxyphenoxy)phenyl]-3-methylbenzamide
CID 91359232
4-[(1-butylpiperidin-4-yl)-methylamino]-N-[4-[3-fluoro-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-2-chloro-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide
CID 87713822
4-(1-butylpiperidin-4-yl)oxy-N-[5-methoxy-2-(methylamino)phenyl]benzamide
CID 68967061
4-(1-butylpiperidin-4-yl)oxy-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-N-(4,4,4-trifluorobutyl)benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)-2-propan-2-ylphenoxy]phenyl]benzamide
CID 87721208
N-[3-methyl-4-[3-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-3-yl)oxybenzamide
CID 69144788
1-(3,4-difluorophenyl)-3-[3-[3-(4-fluorophenoxy)pyrrolidin-1-yl]propyl]urea
CID 11696845
4-(1-butylpiperidin-4-yl)oxy-N-[2-fluoro-4-(2-methoxy-4-nitrophenoxy)phenyl]-3-methylbenzamide
CID 68969305
4-[4-[[4-[2-methoxy-4-(pentylcarbamoylamino)phenoxy]phenyl]-(2-methylpropyl)carbamoyl]phenoxy]piperidine-1-carboxylic acid
CID 69144691
4-(1-butan-2-ylpiperidin-4-yl)oxy-N-[3-methyl-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-4-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxybenzamide
CID 87721218

Frequently Asked Questions

What is the IUPAC name of 4-(1-butylpiperidin-4-yl)oxy-N-[4-[2,5-difluoro-4-(pentylcarbamoylamino)phenoxy]phenyl]benzamide?
The IUPAC name of 4-(1-butylpiperidin-4-yl)oxy-N-[4-[2,5-difluoro-4-(pentylcarbamoylamino)phenoxy]phenyl]benzamide (CID 69143674) is 4-(1-butylpiperidin-4-yl)oxy-N-[4-[2,5-difluoro-4-(pentylcarbamoylamino)phenoxy]phenyl]benzamide.
What is the SMILES notation for 4-(1-butylpiperidin-4-yl)oxy-N-[4-[2,5-difluoro-4-(pentylcarbamoylamino)phenoxy]phenyl]benzamide?
The canonical SMILES for 4-(1-butylpiperidin-4-yl)oxy-N-[4-[2,5-difluoro-4-(pentylcarbamoylamino)phenoxy]phenyl]benzamide is CCCCCNC(=O)Nc1cc(F)c(Oc2ccc(NC(=O)c3ccc(OC4CCN(CCCC)CC4)cc3)cc2)cc1F.
What is the InChIKey of 4-(1-butylpiperidin-4-yl)oxy-N-[4-[2,5-difluoro-4-(pentylcarbamoylamino)phenoxy]phenyl]benzamide?
The InChIKey is DLTWTQCQPDJJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42F2N4O4/c1-3-5-7-18-37-34(42)39-31-22-30(36)32(23-29(31)35)44-27-14-10-25(11-15-27)38-33(41)24-8-12-26(13-9-24)43-28-16-20-40(21-17-28)19-6-4-2/h8-15,22-23,28H,3-7,16-21H2,1-2H3,(H,38,41)(H2,37,39,42).
What are the key properties of 4-(1-butylpiperidin-4-yl)oxy-N-[4-[2,5-difluoro-4-(pentylcarbamoylamino)phenoxy]phenyl]benzamide?
4-(1-butylpiperidin-4-yl)oxy-N-[4-[2,5-difluoro-4-(pentylcarbamoylamino)phenoxy]phenyl]benzamide has a molecular weight of 608.73 g/mol, XLogP of 7.96, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butylpiperidin-4-yl)oxy-N-[4-[2,5-difluoro-4-(pentylcarbamoylamino)phenoxy]phenyl]benzamide is sourced from PubChem (CID 69143674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).