[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate

C28H32N2O4 — CID 16625685

IUPAC[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
SMILESCc1ccc(-c2cnc(CCC(=O)OC(C)C(=O)N3CCC(Cc4ccccc4)CC3)o2)cc1
InChIInChI=1S/C28H32N2O4/c1-20-8-10-24(11-9-20)25-19-29-26(34-25)12-13-27(31)33-21(2)28(32)30-16-14-23(15-17-30)18-22-6-4-3-5-7-22/h3-11,19,21,23H,12-18H2,1-2H3
InChIKeyFIKDRDMFCUJHSX-UHFFFAOYSA-N
MW460.57 g/mol
LogP5.00
Rot. Bonds8

About [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate

[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate (PubChem CID 16625685) has the molecular formula C28H32N2O4 and a molecular weight of 460.57 g/mol. Its IUPAC name is [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate.

Molecular Properties

Compound Name[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
PubChem CID16625685
Molecular FormulaC28H32N2O4
Molecular Weight460.57 g/mol
Exact Mass460.24
IUPAC Name[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
SMILESCc1ccc(-c2cnc(CCC(=O)OC(C)C(=O)N3CCC(Cc4ccccc4)CC3)o2)cc1
InChIInChI=1S/C28H32N2O4/c1-20-8-10-24(11-9-20)25-19-29-26(34-25)12-13-27(31)33-21(2)28(32)30-16-14-23(15-17-30)18-22-6-4-3-5-7-22/h3-11,19,21,23H,12-18H2,1-2H3
InChIKeyFIKDRDMFCUJHSX-UHFFFAOYSA-N
XLogP5.00
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate
CID 55509148
1-(2-benzylpyrrolidin-1-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 24688231
2-[1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]acetic acid
CID 119178646
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119483167
[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 9383702
[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55541606
[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate
CID 55496198
[1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 18278082
[1-oxo-1-(2-phenylanilino)propan-2-yl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate
CID 55496197
[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 8994150
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 38491702
[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
CID 55417151

Frequently Asked Questions

What is the IUPAC name of [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate?
The IUPAC name of [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate (CID 16625685) is [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate.
What is the SMILES notation for [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate?
The canonical SMILES for [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate is Cc1ccc(-c2cnc(CCC(=O)OC(C)C(=O)N3CCC(Cc4ccccc4)CC3)o2)cc1.
What is the InChIKey of [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate?
The InChIKey is FIKDRDMFCUJHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O4/c1-20-8-10-24(11-9-20)25-19-29-26(34-25)12-13-27(31)33-21(2)28(32)30-16-14-23(15-17-30)18-22-6-4-3-5-7-22/h3-11,19,21,23H,12-18H2,1-2H3.
What are the key properties of [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate?
[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate has a molecular weight of 460.57 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate is sourced from PubChem (CID 16625685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).