2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide

C26H25N3O2 — CID 55354087

IUPAC2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide
SMILESO=C(CN1CCC(c2nc3ccccc3o2)CC1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C26H25N3O2/c30-25(27-22-11-5-4-10-21(22)19-8-2-1-3-9-19)18-29-16-14-20(15-17-29)26-28-23-12-6-7-13-24(23)31-26/h1-13,20H,14-18H2,(H,27,30)
InChIKeyLMJLELBEPYHLNX-UHFFFAOYSA-N
MW411.51 g/mol
LogP5.31
Rot. Bonds5

About 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide

2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide (PubChem CID 55354087) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide
PubChem CID55354087
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide
SMILESO=C(CN1CCC(c2nc3ccccc3o2)CC1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C26H25N3O2/c30-25(27-22-11-5-4-10-21(22)19-8-2-1-3-9-19)18-29-16-14-20(15-17-29)26-28-23-12-6-7-13-24(23)31-26/h1-13,20H,14-18H2,(H,27,30)
InChIKeyLMJLELBEPYHLNX-UHFFFAOYSA-N
XLogP5.31
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-chloro-4-methylphenyl)acetamide
CID 55354137
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 16577327
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(benzylcarbamoyl)acetamide
CID 55354015
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(tert-butylcarbamoyl)acetamide
CID 55354119
2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide
CID 1437000
4-(1,3-benzoxazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 1429802
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2-phenylphenyl)acetamide
CID 11940894
2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-phenylphenyl)acetamide
CID 16618246
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 55410498
N-(2-methylphenyl)-2-[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 53152298
3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-cyanophenyl)propanamide
CID 55521712
2-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-benzoxazole
CID 56550712

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide (CID 55354087) is 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide is O=C(CN1CCC(c2nc3ccccc3o2)CC1)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide?
The InChIKey is LMJLELBEPYHLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c30-25(27-22-11-5-4-10-21(22)19-8-2-1-3-9-19)18-29-16-14-20(15-17-29)26-28-23-12-6-7-13-24(23)31-26/h1-13,20H,14-18H2,(H,27,30).
What are the key properties of 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide?
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide has a molecular weight of 411.51 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 55354087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).