4-acetamido-N-(1-benzylpiperidin-4-yl)-2-phenylmethoxybenzamide

C28H31N3O3 — CID 154225250

IUPAC4-acetamido-N-(1-benzylpiperidin-4-yl)-2-phenylmethoxybenzamide
SMILESCC(=O)Nc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(OCc2ccccc2)c1
InChIInChI=1S/C28H31N3O3/c1-21(32)29-25-12-13-26(27(18-25)34-20-23-10-6-3-7-11-23)28(33)30-24-14-16-31(17-15-24)19-22-8-4-2-5-9-22/h2-13,18,24H,14-17,19-20H2,1H3,(H,29,32)(H,30,33)
InChIKeySUKZGBASKVOPTD-UHFFFAOYSA-N
MW457.57 g/mol
LogP4.62
Rot. Bonds8

About 4-acetamido-N-(1-benzylpiperidin-4-yl)-2-phenylmethoxybenzamide

4-acetamido-N-(1-benzylpiperidin-4-yl)-2-phenylmethoxybenzamide (PubChem CID 154225250) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is 4-acetamido-N-(1-benzylpiperidin-4-yl)-2-phenylmethoxybenzamide.

Molecular Properties

Compound Name4-acetamido-N-(1-benzylpiperidin-4-yl)-2-phenylmethoxybenzamide
PubChem CID154225250
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC Name4-acetamido-N-(1-benzylpiperidin-4-yl)-2-phenylmethoxybenzamide
SMILESCC(=O)Nc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(OCc2ccccc2)c1
InChIInChI=1S/C28H31N3O3/c1-21(32)29-25-12-13-26(27(18-25)34-20-23-10-6-3-7-11-23)28(33)30-24-14-16-31(17-15-24)19-22-8-4-2-5-9-22/h2-13,18,24H,14-17,19-20H2,1H3,(H,29,32)(H,30,33)
InChIKeySUKZGBASKVOPTD-UHFFFAOYSA-N
XLogP4.62
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(1-benzylpiperidin-4-yl)-2-phenylmethoxybenzamide?
The IUPAC name of 4-acetamido-N-(1-benzylpiperidin-4-yl)-2-phenylmethoxybenzamide (CID 154225250) is 4-acetamido-N-(1-benzylpiperidin-4-yl)-2-phenylmethoxybenzamide.
What is the SMILES notation for 4-acetamido-N-(1-benzylpiperidin-4-yl)-2-phenylmethoxybenzamide?
The canonical SMILES for 4-acetamido-N-(1-benzylpiperidin-4-yl)-2-phenylmethoxybenzamide is CC(=O)Nc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(OCc2ccccc2)c1.
What is the InChIKey of 4-acetamido-N-(1-benzylpiperidin-4-yl)-2-phenylmethoxybenzamide?
The InChIKey is SUKZGBASKVOPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-21(32)29-25-12-13-26(27(18-25)34-20-23-10-6-3-7-11-23)28(33)30-24-14-16-31(17-15-24)19-22-8-4-2-5-9-22/h2-13,18,24H,14-17,19-20H2,1H3,(H,29,32)(H,30,33).
What are the key properties of 4-acetamido-N-(1-benzylpiperidin-4-yl)-2-phenylmethoxybenzamide?
4-acetamido-N-(1-benzylpiperidin-4-yl)-2-phenylmethoxybenzamide has a molecular weight of 457.57 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(1-benzylpiperidin-4-yl)-2-phenylmethoxybenzamide is sourced from PubChem (CID 154225250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).