2-(4-fluorophenyl)-5-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-3-phenylpentanoate

C32H36FN2O3- — CID 22725373

IUPAC2-(4-fluorophenyl)-5-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-3-phenylpentanoate
SMILESCC(C)C(=O)Nc1cccc(C2CCN(CCC(c3ccccc3)C(C(=O)[O-])c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C32H37FN2O3/c1-22(2)31(36)34-28-10-6-9-26(21-28)23-15-18-35(19-16-23)20-17-29(24-7-4-3-5-8-24)30(32(37)38)25-11-13-27(33)14-12-25/h3-14,21-23,29-30H,15-20H2,1-2H3,(H,34,36)(H,37,38)/p-1
InChIKeyFLMGEYRZNVBHPG-UHFFFAOYSA-M
MW515.65 g/mol
LogP5.31
Rot. Bonds10

About 2-(4-fluorophenyl)-5-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-3-phenylpentanoate

2-(4-fluorophenyl)-5-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-3-phenylpentanoate (PubChem CID 22725373) has the molecular formula C32H36FN2O3- and a molecular weight of 515.65 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-3-phenylpentanoate.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-3-phenylpentanoate
PubChem CID22725373
Molecular FormulaC32H36FN2O3-
Molecular Weight515.65 g/mol
Exact Mass515.27
IUPAC Name2-(4-fluorophenyl)-5-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-3-phenylpentanoate
SMILESCC(C)C(=O)Nc1cccc(C2CCN(CCC(c3ccccc3)C(C(=O)[O-])c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C32H37FN2O3/c1-22(2)31(36)34-28-10-6-9-26(21-28)23-15-18-35(19-16-23)20-17-29(24-7-4-3-5-8-24)30(32(37)38)25-11-13-27(33)14-12-25/h3-14,21-23,29-30H,15-20H2,1-2H3,(H,34,36)(H,37,38)/p-1
InChIKeyFLMGEYRZNVBHPG-UHFFFAOYSA-M
XLogP5.31
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.65
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1-[3-[(4-fluorophenyl)sulfonylamino]-3-phenylpropyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049081
[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenylpropyl] 2-(4-fluorophenyl)acetate
CID 20723004
N-[3-[1-[6-(4-fluorophenoxy)-6-phenylhexyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048856
2-methyl-N-[3-[1-(3-phenyl-3-propan-2-yloxypropyl)piperidin-4-yl]phenyl]propanamide
CID 22049411
2,4-difluoro-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenylpropyl]benzamide
CID 22048779
2,4-difluoro-N-[(1S)-3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenylpropyl]benzamide
CID 58651302
N-[3-[1-[5-(4-fluorophenyl)-5-oxopentyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049378
N-[3-[1-[2-(4-fluorophenoxy)-2-phenylethyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049370
N-[3-[1-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048940
N-[3-[1-[5-(3-acetylphenoxy)-5-(4-fluorophenyl)pentyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048891
2-methyl-N-[3-[1-(5-oxo-5-phenylpentyl)piperidin-4-yl]phenyl]propanamide
CID 22049393
2-methyl-N-[3-[1-(3-phenylbut-3-enyl)piperidin-4-yl]phenyl]propanamide
CID 142203721

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-3-phenylpentanoate?
The IUPAC name of 2-(4-fluorophenyl)-5-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-3-phenylpentanoate (CID 22725373) is 2-(4-fluorophenyl)-5-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-3-phenylpentanoate.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-3-phenylpentanoate?
The canonical SMILES for 2-(4-fluorophenyl)-5-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-3-phenylpentanoate is CC(C)C(=O)Nc1cccc(C2CCN(CCC(c3ccccc3)C(C(=O)[O-])c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-3-phenylpentanoate?
The InChIKey is FLMGEYRZNVBHPG-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H37FN2O3/c1-22(2)31(36)34-28-10-6-9-26(21-28)23-15-18-35(19-16-23)20-17-29(24-7-4-3-5-8-24)30(32(37)38)25-11-13-27(33)14-12-25/h3-14,21-23,29-30H,15-20H2,1-2H3,(H,34,36)(H,37,38)/p-1.
What are the key properties of 2-(4-fluorophenyl)-5-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-3-phenylpentanoate?
2-(4-fluorophenyl)-5-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-3-phenylpentanoate has a molecular weight of 515.65 g/mol, XLogP of 5.31, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-3-phenylpentanoate is sourced from PubChem (CID 22725373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).