N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-methoxyphenyl)acetamide

C26H36N2O3 — CID 10093851

IUPACN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-methoxyphenyl)acetamide
SMILESCOc1ccc(C(C(=O)NCCCN2C(C)CCCC2C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H36N2O3/c1-19-7-5-8-20(2)28(19)18-6-17-27-26(29)25(21-9-13-23(30-3)14-10-21)22-11-15-24(31-4)16-12-22/h9-16,19-20,25H,5-8,17-18H2,1-4H3,(H,27,29)
InChIKeyZZHWBLLFKUKZAZ-UHFFFAOYSA-N
MW424.59 g/mol
LogP4.60
Rot. Bonds9

About N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-methoxyphenyl)acetamide

N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-methoxyphenyl)acetamide (PubChem CID 10093851) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-methoxyphenyl)acetamide
PubChem CID10093851
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC NameN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-methoxyphenyl)acetamide
SMILESCOc1ccc(C(C(=O)NCCCN2C(C)CCCC2C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H36N2O3/c1-19-7-5-8-20(2)28(19)18-6-17-27-26(29)25(21-9-13-23(30-3)14-10-21)22-11-15-24(31-4)16-12-22/h9-16,19-20,25H,5-8,17-18H2,1-4H3,(H,27,29)
InChIKeyZZHWBLLFKUKZAZ-UHFFFAOYSA-N
XLogP4.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-methoxyphenyl)acetamide?
The IUPAC name of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-methoxyphenyl)acetamide (CID 10093851) is N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-methoxyphenyl)acetamide is COc1ccc(C(C(=O)NCCCN2C(C)CCCC2C)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-methoxyphenyl)acetamide?
The InChIKey is ZZHWBLLFKUKZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O3/c1-19-7-5-8-20(2)28(19)18-6-17-27-26(29)25(21-9-13-23(30-3)14-10-21)22-11-15-24(31-4)16-12-22/h9-16,19-20,25H,5-8,17-18H2,1-4H3,(H,27,29).
What are the key properties of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-methoxyphenyl)acetamide?
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-methoxyphenyl)acetamide has a molecular weight of 424.59 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-methoxyphenyl)acetamide is sourced from PubChem (CID 10093851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).