1-(1,3-benzoxazol-2-yl)-N-(2,2-diphenylpropyl)piperidine-4-carboxamide

C28H29N3O2 — CID 24584539

IUPAC1-(1,3-benzoxazol-2-yl)-N-(2,2-diphenylpropyl)piperidine-4-carboxamide
SMILESCC(CNC(=O)C1CCN(c2nc3ccccc3o2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H29N3O2/c1-28(22-10-4-2-5-11-22,23-12-6-3-7-13-23)20-29-26(32)21-16-18-31(19-17-21)27-30-24-14-8-9-15-25(24)33-27/h2-15,21H,16-20H2,1H3,(H,29,32)
InChIKeyHPUMHOYBUSQKAL-UHFFFAOYSA-N
MW439.56 g/mol
LogP5.17
Rot. Bonds6

About 1-(1,3-benzoxazol-2-yl)-N-(2,2-diphenylpropyl)piperidine-4-carboxamide

1-(1,3-benzoxazol-2-yl)-N-(2,2-diphenylpropyl)piperidine-4-carboxamide (PubChem CID 24584539) has the molecular formula C28H29N3O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-(2,2-diphenylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-(2,2-diphenylpropyl)piperidine-4-carboxamide
PubChem CID24584539
Molecular FormulaC28H29N3O2
Molecular Weight439.56 g/mol
Exact Mass439.23
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-(2,2-diphenylpropyl)piperidine-4-carboxamide
SMILESCC(CNC(=O)C1CCN(c2nc3ccccc3o2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H29N3O2/c1-28(22-10-4-2-5-11-22,23-12-6-3-7-13-23)20-29-26(32)21-16-18-31(19-17-21)27-30-24-14-8-9-15-25(24)33-27/h2-15,21H,16-20H2,1H3,(H,29,32)
InChIKeyHPUMHOYBUSQKAL-UHFFFAOYSA-N
XLogP5.17
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.56
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-(2,2-diphenylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-(2,2-diphenylpropyl)piperidine-4-carboxamide (CID 24584539) is 1-(1,3-benzoxazol-2-yl)-N-(2,2-diphenylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-(2,2-diphenylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-(2,2-diphenylpropyl)piperidine-4-carboxamide is CC(CNC(=O)C1CCN(c2nc3ccccc3o2)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-(2,2-diphenylpropyl)piperidine-4-carboxamide?
The InChIKey is HPUMHOYBUSQKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2/c1-28(22-10-4-2-5-11-22,23-12-6-3-7-13-23)20-29-26(32)21-16-18-31(19-17-21)27-30-24-14-8-9-15-25(24)33-27/h2-15,21H,16-20H2,1H3,(H,29,32).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-(2,2-diphenylpropyl)piperidine-4-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-(2,2-diphenylpropyl)piperidine-4-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-(2,2-diphenylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 24584539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).