N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)-3-phenylpropan-2-yl]-2,2-diphenylacetamide

C28H28N2O3 — CID 41094026

IUPACN-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)-3-phenylpropan-2-yl]-2,2-diphenylacetamide
SMILESO=C1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H28N2O3/c31-24-16-18-30(19-17-24)28(33)25(20-21-10-4-1-5-11-21)29-27(32)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,25-26H,16-20H2,(H,29,32)/t25-/m1/s1
InChIKeyZCBCDKSYFABXOM-RUZDIDTESA-N
MW440.54 g/mol
LogP3.74
Rot. Bonds7

About N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)-3-phenylpropan-2-yl]-2,2-diphenylacetamide

N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)-3-phenylpropan-2-yl]-2,2-diphenylacetamide (PubChem CID 41094026) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)-3-phenylpropan-2-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)-3-phenylpropan-2-yl]-2,2-diphenylacetamide
PubChem CID41094026
Molecular FormulaC28H28N2O3
Molecular Weight440.54 g/mol
Exact Mass440.21
IUPAC NameN-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)-3-phenylpropan-2-yl]-2,2-diphenylacetamide
SMILESO=C1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H28N2O3/c31-24-16-18-30(19-17-24)28(33)25(20-21-10-4-1-5-11-21)29-27(32)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,25-26H,16-20H2,(H,29,32)/t25-/m1/s1
InChIKeyZCBCDKSYFABXOM-RUZDIDTESA-N
XLogP3.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)-3-phenylpropan-2-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)-3-phenylpropan-2-yl]-2,2-diphenylacetamide (CID 41094026) is N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)-3-phenylpropan-2-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)-3-phenylpropan-2-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)-3-phenylpropan-2-yl]-2,2-diphenylacetamide is O=C1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)-3-phenylpropan-2-yl]-2,2-diphenylacetamide?
The InChIKey is ZCBCDKSYFABXOM-RUZDIDTESA-N. The full InChI is InChI=1S/C28H28N2O3/c31-24-16-18-30(19-17-24)28(33)25(20-21-10-4-1-5-11-21)29-27(32)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,25-26H,16-20H2,(H,29,32)/t25-/m1/s1.
What are the key properties of N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)-3-phenylpropan-2-yl]-2,2-diphenylacetamide?
N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)-3-phenylpropan-2-yl]-2,2-diphenylacetamide has a molecular weight of 440.54 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)-3-phenylpropan-2-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 41094026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).