(2S)-1-(2,2-diphenylacetyl)-4-phenylmethoxypiperidine-2-carboxylic acid

C27H27NO4 — CID 71667882

IUPAC(2S)-1-(2,2-diphenylacetyl)-4-phenylmethoxypiperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(OCc2ccccc2)CCN1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H27NO4/c29-26(25(21-12-6-2-7-13-21)22-14-8-3-9-15-22)28-17-16-23(18-24(28)27(30)31)32-19-20-10-4-1-5-11-20/h1-15,23-25H,16-19H2,(H,30,31)/t23?,24-/m0/s1
InChIKeyKDOZDZPMPQBFRU-CGAIIQECSA-N
MW429.52 g/mol
LogP4.48
Rot. Bonds7

About (2S)-1-(2,2-diphenylacetyl)-4-phenylmethoxypiperidine-2-carboxylic acid

(2S)-1-(2,2-diphenylacetyl)-4-phenylmethoxypiperidine-2-carboxylic acid (PubChem CID 71667882) has the molecular formula C27H27NO4 and a molecular weight of 429.52 g/mol. Its IUPAC name is (2S)-1-(2,2-diphenylacetyl)-4-phenylmethoxypiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2,2-diphenylacetyl)-4-phenylmethoxypiperidine-2-carboxylic acid
PubChem CID71667882
Molecular FormulaC27H27NO4
Molecular Weight429.52 g/mol
Exact Mass429.19
IUPAC Name(2S)-1-(2,2-diphenylacetyl)-4-phenylmethoxypiperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(OCc2ccccc2)CCN1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H27NO4/c29-26(25(21-12-6-2-7-13-21)22-14-8-3-9-15-22)28-17-16-23(18-24(28)27(30)31)32-19-20-10-4-1-5-11-20/h1-15,23-25H,16-19H2,(H,30,31)/t23?,24-/m0/s1
InChIKeyKDOZDZPMPQBFRU-CGAIIQECSA-N
XLogP4.48
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,2-diphenylacetyl)-4-phenylmethoxypiperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2,2-diphenylacetyl)-4-phenylmethoxypiperidine-2-carboxylic acid (CID 71667882) is (2S)-1-(2,2-diphenylacetyl)-4-phenylmethoxypiperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2,2-diphenylacetyl)-4-phenylmethoxypiperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2,2-diphenylacetyl)-4-phenylmethoxypiperidine-2-carboxylic acid is O=C(O)[C@@H]1CC(OCc2ccccc2)CCN1C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-1-(2,2-diphenylacetyl)-4-phenylmethoxypiperidine-2-carboxylic acid?
The InChIKey is KDOZDZPMPQBFRU-CGAIIQECSA-N. The full InChI is InChI=1S/C27H27NO4/c29-26(25(21-12-6-2-7-13-21)22-14-8-3-9-15-22)28-17-16-23(18-24(28)27(30)31)32-19-20-10-4-1-5-11-20/h1-15,23-25H,16-19H2,(H,30,31)/t23?,24-/m0/s1.
What are the key properties of (2S)-1-(2,2-diphenylacetyl)-4-phenylmethoxypiperidine-2-carboxylic acid?
(2S)-1-(2,2-diphenylacetyl)-4-phenylmethoxypiperidine-2-carboxylic acid has a molecular weight of 429.52 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,2-diphenylacetyl)-4-phenylmethoxypiperidine-2-carboxylic acid is sourced from PubChem (CID 71667882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).