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

C24H30F2N2O — CID 10092397

IUPACN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-fluorophenyl)acetamide
SMILESCC1CCCC(C)N1CCCNC(=O)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H30F2N2O/c1-17-5-3-6-18(2)28(17)16-4-15-27-24(29)23(19-7-11-21(25)12-8-19)20-9-13-22(26)14-10-20/h7-14,17-18,23H,3-6,15-16H2,1-2H3,(H,27,29)
InChIKeyGMKUSBWKAXHTDE-UHFFFAOYSA-N
MW400.51 g/mol
LogP4.87
Rot. Bonds7

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

N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-fluorophenyl)acetamide (PubChem CID 10092397) has the molecular formula C24H30F2N2O and a molecular weight of 400.51 g/mol. Its IUPAC name is N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-fluorophenyl)acetamide
PubChem CID10092397
Molecular FormulaC24H30F2N2O
Molecular Weight400.51 g/mol
Exact Mass400.23
IUPAC NameN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-fluorophenyl)acetamide
SMILESCC1CCCC(C)N1CCCNC(=O)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H30F2N2O/c1-17-5-3-6-18(2)28(17)16-4-15-27-24(29)23(19-7-11-21(25)12-8-19)20-9-13-22(26)14-10-20/h7-14,17-18,23H,3-6,15-16H2,1-2H3,(H,27,29)
InChIKeyGMKUSBWKAXHTDE-UHFFFAOYSA-N
XLogP4.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-fluorophenyl)acetamide?
The IUPAC name of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-fluorophenyl)acetamide (CID 10092397) is N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-fluorophenyl)acetamide?
The canonical SMILES for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-fluorophenyl)acetamide is CC1CCCC(C)N1CCCNC(=O)C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-fluorophenyl)acetamide?
The InChIKey is GMKUSBWKAXHTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N2O/c1-17-5-3-6-18(2)28(17)16-4-15-27-24(29)23(19-7-11-21(25)12-8-19)20-9-13-22(26)14-10-20/h7-14,17-18,23H,3-6,15-16H2,1-2H3,(H,27,29).
What are the key properties of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-fluorophenyl)acetamide?
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-fluorophenyl)acetamide has a molecular weight of 400.51 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-fluorophenyl)acetamide is sourced from PubChem (CID 10092397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).