2-benzyl-N-(1-benzylpiperidin-4-yl)-1,3-benzoxazole-6-carboxamide

C27H27N3O2 — CID 71843452

IUPAC2-benzyl-N-(1-benzylpiperidin-4-yl)-1,3-benzoxazole-6-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2nc(Cc3ccccc3)oc2c1
InChIInChI=1S/C27H27N3O2/c31-27(28-23-13-15-30(16-14-23)19-21-9-5-2-6-10-21)22-11-12-24-25(18-22)32-26(29-24)17-20-7-3-1-4-8-20/h1-12,18,23H,13-17,19H2,(H,28,31)
InChIKeyZYDAHEGZTMBXSH-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.81
Rot. Bonds6

About 2-benzyl-N-(1-benzylpiperidin-4-yl)-1,3-benzoxazole-6-carboxamide

2-benzyl-N-(1-benzylpiperidin-4-yl)-1,3-benzoxazole-6-carboxamide (PubChem CID 71843452) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-benzyl-N-(1-benzylpiperidin-4-yl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(1-benzylpiperidin-4-yl)-1,3-benzoxazole-6-carboxamide
PubChem CID71843452
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name2-benzyl-N-(1-benzylpiperidin-4-yl)-1,3-benzoxazole-6-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2nc(Cc3ccccc3)oc2c1
InChIInChI=1S/C27H27N3O2/c31-27(28-23-13-15-30(16-14-23)19-21-9-5-2-6-10-21)22-11-12-24-25(18-22)32-26(29-24)17-20-7-3-1-4-8-20/h1-12,18,23H,13-17,19H2,(H,28,31)
InChIKeyZYDAHEGZTMBXSH-UHFFFAOYSA-N
XLogP4.81
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-1,3-benzoxazole-6-carboxamide
CID 53089368
2-[(3-chlorophenyl)methyl]-N-(1-methylpiperidin-4-yl)-1,3-benzoxazole-6-carboxamide
CID 26335371
N-cyclooctyl-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 53089402
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
N-[2-(azepan-1-yl)ethyl]-2-benzyl-1,3-benzoxazole-6-carboxamide
CID 53089357
N-cyclopentyl-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 53089603
2-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-benzoxazole-6-carboxamide
CID 53089328
3-(1,3-benzoxazol-2-yl)-N-(1-benzylpiperidin-4-yl)propanamide
CID 39754999
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
N-(1-benzylpiperidin-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 2814953
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
2-benzyl-N-[(3-chlorophenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 53089283

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(1-benzylpiperidin-4-yl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-benzyl-N-(1-benzylpiperidin-4-yl)-1,3-benzoxazole-6-carboxamide (CID 71843452) is 2-benzyl-N-(1-benzylpiperidin-4-yl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-benzyl-N-(1-benzylpiperidin-4-yl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-benzyl-N-(1-benzylpiperidin-4-yl)-1,3-benzoxazole-6-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2nc(Cc3ccccc3)oc2c1.
What is the InChIKey of 2-benzyl-N-(1-benzylpiperidin-4-yl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is ZYDAHEGZTMBXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c31-27(28-23-13-15-30(16-14-23)19-21-9-5-2-6-10-21)22-11-12-24-25(18-22)32-26(29-24)17-20-7-3-1-4-8-20/h1-12,18,23H,13-17,19H2,(H,28,31).
What are the key properties of 2-benzyl-N-(1-benzylpiperidin-4-yl)-1,3-benzoxazole-6-carboxamide?
2-benzyl-N-(1-benzylpiperidin-4-yl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(1-benzylpiperidin-4-yl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 71843452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).