N-benzyl-N-methyl-2-[(3R,4R)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide

C25H29N3O2 — CID 162916581

IUPACN-benzyl-N-methyl-2-[(3R,4R)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
SMILESCN(Cc1ccccc1)C(=O)C[C@H]1CCNC[C@@H]1Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C25H29N3O2/c1-28(18-19-8-4-2-5-9-19)25(29)15-21-12-13-26-17-22(21)14-23-16-24(30-27-23)20-10-6-3-7-11-20/h2-11,16,21-22,26H,12-15,17-18H2,1H3/t21-,22+/m1/s1
InChIKeyVYNFKKWREKYUGT-YADHBBJMSA-N
MW403.53 g/mol
LogP4.16
Rot. Bonds7

About N-benzyl-N-methyl-2-[(3R,4R)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide

N-benzyl-N-methyl-2-[(3R,4R)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide (PubChem CID 162916581) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[(3R,4R)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[(3R,4R)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
PubChem CID162916581
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC NameN-benzyl-N-methyl-2-[(3R,4R)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
SMILESCN(Cc1ccccc1)C(=O)C[C@H]1CCNC[C@@H]1Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C25H29N3O2/c1-28(18-19-8-4-2-5-9-19)25(29)15-21-12-13-26-17-22(21)14-23-16-24(30-27-23)20-10-6-3-7-11-20/h2-11,16,21-22,26H,12-15,17-18H2,1H3/t21-,22+/m1/s1
InChIKeyVYNFKKWREKYUGT-YADHBBJMSA-N
XLogP4.16
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[(3R,4R)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-benzyl-N-methyl-2-[(3R,4R)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide (CID 162916581) is N-benzyl-N-methyl-2-[(3R,4R)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[(3R,4R)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-[(3R,4R)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide is CN(Cc1ccccc1)C(=O)C[C@H]1CCNC[C@@H]1Cc1cc(-c2ccccc2)on1.
What is the InChIKey of N-benzyl-N-methyl-2-[(3R,4R)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide?
The InChIKey is VYNFKKWREKYUGT-YADHBBJMSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-28(18-19-8-4-2-5-9-19)25(29)15-21-12-13-26-17-22(21)14-23-16-24(30-27-23)20-10-6-3-7-11-20/h2-11,16,21-22,26H,12-15,17-18H2,1H3/t21-,22+/m1/s1.
What are the key properties of N-benzyl-N-methyl-2-[(3R,4R)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide?
N-benzyl-N-methyl-2-[(3R,4R)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide has a molecular weight of 403.53 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[(3R,4R)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 162916581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).