methyl 1-[2-(4-hydroxyphenyl)acetyl]-4-phenylpiperidine-4-carboxylate

C21H23NO4 — CID 78838423

IUPACmethyl 1-[2-(4-hydroxyphenyl)acetyl]-4-phenylpiperidine-4-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CCN(C(=O)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C21H23NO4/c1-26-20(25)21(17-5-3-2-4-6-17)11-13-22(14-12-21)19(24)15-16-7-9-18(23)10-8-16/h2-10,23H,11-15H2,1H3
InChIKeyUZZYVMFGYVTOAD-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.67
Rot. Bonds4

About methyl 1-[2-(4-hydroxyphenyl)acetyl]-4-phenylpiperidine-4-carboxylate

methyl 1-[2-(4-hydroxyphenyl)acetyl]-4-phenylpiperidine-4-carboxylate (PubChem CID 78838423) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is methyl 1-[2-(4-hydroxyphenyl)acetyl]-4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(4-hydroxyphenyl)acetyl]-4-phenylpiperidine-4-carboxylate
PubChem CID78838423
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Namemethyl 1-[2-(4-hydroxyphenyl)acetyl]-4-phenylpiperidine-4-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CCN(C(=O)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C21H23NO4/c1-26-20(25)21(17-5-3-2-4-6-17)11-13-22(14-12-21)19(24)15-16-7-9-18(23)10-8-16/h2-10,23H,11-15H2,1H3
InChIKeyUZZYVMFGYVTOAD-UHFFFAOYSA-N
XLogP2.67
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-carbamoyl-4-phenylpiperidine-4-carboxylate
CID 56977637
1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 22240695
2-(4-hydroxyphenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304431
methyl 4-phenyl-1-(propan-2-ylcarbamoyl)piperidine-4-carboxylate
CID 87012984
methyl 1-(2-methylbenzoyl)-4-phenylpiperidine-4-carboxylate
CID 46420789
methyl 1-(2,4-difluoro-6-hydroxybenzoyl)-4-phenylpiperidine-4-carboxylate
CID 71883421
1-[2-(3,4-difluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 120512865
methyl 1-[2-(6-bromonaphthalen-2-yl)oxyacetyl]-4-phenylpiperidine-4-carboxylate
CID 55776250
methyl 1-[4-(imidazol-1-ylmethyl)benzoyl]-4-phenylpiperidine-4-carboxylate
CID 55718655
methyl 4-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]benzoate
CID 70711272
1-[2-(4-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 28934157
2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 78828531

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(4-hydroxyphenyl)acetyl]-4-phenylpiperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(4-hydroxyphenyl)acetyl]-4-phenylpiperidine-4-carboxylate (CID 78838423) is methyl 1-[2-(4-hydroxyphenyl)acetyl]-4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(4-hydroxyphenyl)acetyl]-4-phenylpiperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(4-hydroxyphenyl)acetyl]-4-phenylpiperidine-4-carboxylate is COC(=O)C1(c2ccccc2)CCN(C(=O)Cc2ccc(O)cc2)CC1.
What is the InChIKey of methyl 1-[2-(4-hydroxyphenyl)acetyl]-4-phenylpiperidine-4-carboxylate?
The InChIKey is UZZYVMFGYVTOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-26-20(25)21(17-5-3-2-4-6-17)11-13-22(14-12-21)19(24)15-16-7-9-18(23)10-8-16/h2-10,23H,11-15H2,1H3.
What are the key properties of methyl 1-[2-(4-hydroxyphenyl)acetyl]-4-phenylpiperidine-4-carboxylate?
methyl 1-[2-(4-hydroxyphenyl)acetyl]-4-phenylpiperidine-4-carboxylate has a molecular weight of 353.42 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(4-hydroxyphenyl)acetyl]-4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 78838423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).