[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)acetate

C22H25NO3 — CID 23996066

IUPAC[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)acetate
SMILESCC1CCN(C(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H25NO3/c1-17-11-13-23(14-12-17)21(24)16-26-22(25)15-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-10,17H,11-16H2,1H3
InChIKeyLOGKTJOWLNCAAI-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.70
Rot. Bonds5

About [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)acetate

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)acetate (PubChem CID 23996066) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)acetate.

Molecular Properties

Compound Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)acetate
PubChem CID23996066
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)acetate
SMILESCC1CCN(C(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H25NO3/c1-17-11-13-23(14-12-17)21(24)16-26-22(25)15-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-10,17H,11-16H2,1H3
InChIKeyLOGKTJOWLNCAAI-UHFFFAOYSA-N
XLogP3.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)acetate?
The IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)acetate (CID 23996066) is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)acetate.
What is the SMILES notation for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)acetate?
The canonical SMILES for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)acetate is CC1CCN(C(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)acetate?
The InChIKey is LOGKTJOWLNCAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-17-11-13-23(14-12-17)21(24)16-26-22(25)15-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-10,17H,11-16H2,1H3.
What are the key properties of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)acetate?
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)acetate has a molecular weight of 351.45 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)acetate is sourced from PubChem (CID 23996066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).