N-(1,2-benzoxazol-5-yl)-1-(3-phenylphenyl)piperidine-4-carboxamide

C25H23N3O2 — CID 58653146

IUPACN-(1,2-benzoxazol-5-yl)-1-(3-phenylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2oncc2c1)C1CCN(c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C25H23N3O2/c29-25(27-22-9-10-24-21(15-22)17-26-30-24)19-11-13-28(14-12-19)23-8-4-7-20(16-23)18-5-2-1-3-6-18/h1-10,15-17,19H,11-14H2,(H,27,29)
InChIKeyXXNRRAJKMKLEQA-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.35
Rot. Bonds4

About N-(1,2-benzoxazol-5-yl)-1-(3-phenylphenyl)piperidine-4-carboxamide

N-(1,2-benzoxazol-5-yl)-1-(3-phenylphenyl)piperidine-4-carboxamide (PubChem CID 58653146) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(1,2-benzoxazol-5-yl)-1-(3-phenylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,2-benzoxazol-5-yl)-1-(3-phenylphenyl)piperidine-4-carboxamide
PubChem CID58653146
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-(1,2-benzoxazol-5-yl)-1-(3-phenylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2oncc2c1)C1CCN(c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C25H23N3O2/c29-25(27-22-9-10-24-21(15-22)17-26-30-24)19-11-13-28(14-12-19)23-8-4-7-20(16-23)18-5-2-1-3-6-18/h1-10,15-17,19H,11-14H2,(H,27,29)
InChIKeyXXNRRAJKMKLEQA-UHFFFAOYSA-N
XLogP5.35
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107320
N-(4-methoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107326
N-(3,5-dichlorophenyl)-1-phenylpiperidine-4-carboxamide
CID 17152302
1-(cyclopropanecarbonyl)-N-(4-phenylphenyl)piperidine-4-carboxamide
CID 51155668
1-(3-chlorophenyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 17152909
N-(1-benzofuran-5-yl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide
CID 169094772
N-(3-bromophenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38114825
N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 60928576
N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]cyclobutanecarboxamide
CID 122299328
N-phenyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062015
1-(6-oxo-1H-pyridazin-4-yl)-N-phenylpiperidine-4-carboxamide
CID 53202067
1-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17153034

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzoxazol-5-yl)-1-(3-phenylphenyl)piperidine-4-carboxamide?
The IUPAC name of N-(1,2-benzoxazol-5-yl)-1-(3-phenylphenyl)piperidine-4-carboxamide (CID 58653146) is N-(1,2-benzoxazol-5-yl)-1-(3-phenylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1,2-benzoxazol-5-yl)-1-(3-phenylphenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1,2-benzoxazol-5-yl)-1-(3-phenylphenyl)piperidine-4-carboxamide is O=C(Nc1ccc2oncc2c1)C1CCN(c2cccc(-c3ccccc3)c2)CC1.
What is the InChIKey of N-(1,2-benzoxazol-5-yl)-1-(3-phenylphenyl)piperidine-4-carboxamide?
The InChIKey is XXNRRAJKMKLEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c29-25(27-22-9-10-24-21(15-22)17-26-30-24)19-11-13-28(14-12-19)23-8-4-7-20(16-23)18-5-2-1-3-6-18/h1-10,15-17,19H,11-14H2,(H,27,29).
What are the key properties of N-(1,2-benzoxazol-5-yl)-1-(3-phenylphenyl)piperidine-4-carboxamide?
N-(1,2-benzoxazol-5-yl)-1-(3-phenylphenyl)piperidine-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzoxazol-5-yl)-1-(3-phenylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 58653146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).