tert-butyl 4-[3-[4-(5-aminopentanoyl)-3-fluorophenoxy]propyl]piperidine-1-carboxylate

C24H37FN2O4 — CID 153112175

IUPACtert-butyl 4-[3-[4-(5-aminopentanoyl)-3-fluorophenoxy]propyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCCOc2ccc(C(=O)CCCCN)c(F)c2)CC1
InChIInChI=1S/C24H37FN2O4/c1-24(2,3)31-23(29)27-14-11-18(12-15-27)7-6-16-30-19-9-10-20(21(25)17-19)22(28)8-4-5-13-26/h9-10,17-18H,4-8,11-16,26H2,1-3H3
InChIKeyVTDMEOJWQZPEPJ-UHFFFAOYSA-N
MW436.57 g/mol
LogP4.94
Rot. Bonds10

About tert-butyl 4-[3-[4-(5-aminopentanoyl)-3-fluorophenoxy]propyl]piperidine-1-carboxylate

tert-butyl 4-[3-[4-(5-aminopentanoyl)-3-fluorophenoxy]propyl]piperidine-1-carboxylate (PubChem CID 153112175) has the molecular formula C24H37FN2O4 and a molecular weight of 436.57 g/mol. Its IUPAC name is tert-butyl 4-[3-[4-(5-aminopentanoyl)-3-fluorophenoxy]propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-[4-(5-aminopentanoyl)-3-fluorophenoxy]propyl]piperidine-1-carboxylate
PubChem CID153112175
Molecular FormulaC24H37FN2O4
Molecular Weight436.57 g/mol
Exact Mass436.27
IUPAC Nametert-butyl 4-[3-[4-(5-aminopentanoyl)-3-fluorophenoxy]propyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCCOc2ccc(C(=O)CCCCN)c(F)c2)CC1
InChIInChI=1S/C24H37FN2O4/c1-24(2,3)31-23(29)27-14-11-18(12-15-27)7-6-16-30-19-9-10-20(21(25)17-19)22(28)8-4-5-13-26/h9-10,17-18H,4-8,11-16,26H2,1-3H3
InChIKeyVTDMEOJWQZPEPJ-UHFFFAOYSA-N
XLogP4.94
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.57
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[3-(3-fluoro-4-methylsulfinylphenoxy)propyl]piperidine-1-carboxylate
CID 59234126
tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
CID 58808104
tert-butyl 4-[3-[4-(ethylcarbamoyl)-3,5-difluorophenoxy]propyl]piperidine-1-carboxylate
CID 59234081
tert-butyl 4-[3-[4-[ethyl(hydroxy)carbamoyl]-3,5-difluorophenoxy]propyl]piperidine-1-carboxylate
CID 87261464
tert-butyl 4-[(4-amino-3-fluorophenoxy)methyl]piperidine-1-carboxylate
CID 164576765
ethyl 4-[3-(3-fluoro-4-methylsulfonylphenoxy)propyl]piperidine-1-carboxylate
CID 59233990
tert-butyl 4-[3-[4-(4-hydroxy-3,3-dimethylbutanoyl)phenoxy]propyl]piperidine-1-carboxylate
CID 159636919
tert-butyl 4-[3-[4-(1-methoxyethyl)-3-methylphenoxy]propyl]piperidine-1-carboxylate
CID 123723111
tert-butyl 4-[3-(4-carbonocyanidoyl-3-fluoroanilino)propyl]piperidine-1-carboxylate
CID 89383954
tert-butyl 4-[2-(4-cyanophenoxy)ethyl]piperidine-1-carboxylate
CID 23034009
4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]phthalic acid
CID 134579774
1-[[2-fluoro-4-[3-(1-propan-2-yloxycarbonylpiperidin-4-yl)propoxy]benzoyl]amino]ethylideneazanium
CID 143923615

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-[4-(5-aminopentanoyl)-3-fluorophenoxy]propyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-[4-(5-aminopentanoyl)-3-fluorophenoxy]propyl]piperidine-1-carboxylate (CID 153112175) is tert-butyl 4-[3-[4-(5-aminopentanoyl)-3-fluorophenoxy]propyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-[4-(5-aminopentanoyl)-3-fluorophenoxy]propyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-[4-(5-aminopentanoyl)-3-fluorophenoxy]propyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCCOc2ccc(C(=O)CCCCN)c(F)c2)CC1.
What is the InChIKey of tert-butyl 4-[3-[4-(5-aminopentanoyl)-3-fluorophenoxy]propyl]piperidine-1-carboxylate?
The InChIKey is VTDMEOJWQZPEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37FN2O4/c1-24(2,3)31-23(29)27-14-11-18(12-15-27)7-6-16-30-19-9-10-20(21(25)17-19)22(28)8-4-5-13-26/h9-10,17-18H,4-8,11-16,26H2,1-3H3.
What are the key properties of tert-butyl 4-[3-[4-(5-aminopentanoyl)-3-fluorophenoxy]propyl]piperidine-1-carboxylate?
tert-butyl 4-[3-[4-(5-aminopentanoyl)-3-fluorophenoxy]propyl]piperidine-1-carboxylate has a molecular weight of 436.57 g/mol, XLogP of 4.94, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-[4-(5-aminopentanoyl)-3-fluorophenoxy]propyl]piperidine-1-carboxylate is sourced from PubChem (CID 153112175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).