ethyl 5-(4-fluorophenyl)-1-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]pyrazole-3-carboxylate

C26H28FN3O4 — CID 92770029

IUPACethyl 5-(4-fluorophenyl)-1-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(F)cc2)n(C2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)n1
InChIInChI=1S/C26H28FN3O4/c1-3-33-26(32)23-17-24(19-9-11-20(27)12-10-19)30(28-23)21-13-15-29(16-14-21)25(31)18(2)34-22-7-5-4-6-8-22/h4-12,17-18,21H,3,13-16H2,1-2H3/t18-/m1/s1
InChIKeyRZYIMTRVAWVUET-GOSISDBHSA-N
MW465.53 g/mol
LogP4.50
Rot. Bonds7

About ethyl 5-(4-fluorophenyl)-1-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]pyrazole-3-carboxylate

ethyl 5-(4-fluorophenyl)-1-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]pyrazole-3-carboxylate (PubChem CID 92770029) has the molecular formula C26H28FN3O4 and a molecular weight of 465.53 g/mol. Its IUPAC name is ethyl 5-(4-fluorophenyl)-1-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-fluorophenyl)-1-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]pyrazole-3-carboxylate
PubChem CID92770029
Molecular FormulaC26H28FN3O4
Molecular Weight465.53 g/mol
Exact Mass465.21
IUPAC Nameethyl 5-(4-fluorophenyl)-1-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(F)cc2)n(C2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)n1
InChIInChI=1S/C26H28FN3O4/c1-3-33-26(32)23-17-24(19-9-11-20(27)12-10-19)30(28-23)21-13-15-29(16-14-21)25(31)18(2)34-22-7-5-4-6-8-22/h4-12,17-18,21H,3,13-16H2,1-2H3/t18-/m1/s1
InChIKeyRZYIMTRVAWVUET-GOSISDBHSA-N
XLogP4.50
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(4-ethylphenyl)-1-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrazole-3-carboxylate
CID 46097628
ethyl 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-(4-ethylphenyl)pyrazole-3-carboxylate
CID 46097620
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229
ethyl 1-[1-[(2S)-2-acetyloxypropanoyl]piperidin-4-yl]-5-propylpyrazole-3-carboxylate
CID 46097753
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 119520564
ethyl 1-(4-fluorophenyl)-5-phenylpyrazole-3-carboxylate
CID 11370315
(2R)-2-phenoxy-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 124892362
ethyl 1-[(4-fluorophenyl)methyl]-5-phenylpyrazole-3-carboxylate
CID 91872759
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one
CID 110885318
1-(4-aminopiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 119376748
1-(4-hydroxypiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 110888002
1-[(2R)-2-(4-fluorophenoxy)propanoyl]-N-phenylpiperidine-4-carboxamide
CID 41499825

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-fluorophenyl)-1-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-(4-fluorophenyl)-1-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]pyrazole-3-carboxylate (CID 92770029) is ethyl 5-(4-fluorophenyl)-1-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-fluorophenyl)-1-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-(4-fluorophenyl)-1-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]pyrazole-3-carboxylate is CCOC(=O)c1cc(-c2ccc(F)cc2)n(C2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)n1.
What is the InChIKey of ethyl 5-(4-fluorophenyl)-1-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]pyrazole-3-carboxylate?
The InChIKey is RZYIMTRVAWVUET-GOSISDBHSA-N. The full InChI is InChI=1S/C26H28FN3O4/c1-3-33-26(32)23-17-24(19-9-11-20(27)12-10-19)30(28-23)21-13-15-29(16-14-21)25(31)18(2)34-22-7-5-4-6-8-22/h4-12,17-18,21H,3,13-16H2,1-2H3/t18-/m1/s1.
What are the key properties of ethyl 5-(4-fluorophenyl)-1-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]pyrazole-3-carboxylate?
ethyl 5-(4-fluorophenyl)-1-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]pyrazole-3-carboxylate has a molecular weight of 465.53 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-fluorophenyl)-1-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]pyrazole-3-carboxylate is sourced from PubChem (CID 92770029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).