4-(2,5-difluorophenyl)-N,2-dimethyl-2-phenyl-N-piperidin-4-ylcyclopent-3-ene-1-carboxamide

C25H28F2N2O — CID 71188955

IUPAC4-(2,5-difluorophenyl)-N,2-dimethyl-2-phenyl-N-piperidin-4-ylcyclopent-3-ene-1-carboxamide
SMILESCN(C(=O)C1CC(c2cc(F)ccc2F)=CC1(C)c1ccccc1)C1CCNCC1
InChIInChI=1S/C25H28F2N2O/c1-25(18-6-4-3-5-7-18)16-17(21-15-19(26)8-9-23(21)27)14-22(25)24(30)29(2)20-10-12-28-13-11-20/h3-9,15-16,20,22,28H,10-14H2,1-2H3
InChIKeyFYLYTOVBLPGDQZ-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.54
Rot. Bonds4

About 4-(2,5-difluorophenyl)-N,2-dimethyl-2-phenyl-N-piperidin-4-ylcyclopent-3-ene-1-carboxamide

4-(2,5-difluorophenyl)-N,2-dimethyl-2-phenyl-N-piperidin-4-ylcyclopent-3-ene-1-carboxamide (PubChem CID 71188955) has the molecular formula C25H28F2N2O and a molecular weight of 410.51 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-N,2-dimethyl-2-phenyl-N-piperidin-4-ylcyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-N,2-dimethyl-2-phenyl-N-piperidin-4-ylcyclopent-3-ene-1-carboxamide
PubChem CID71188955
Molecular FormulaC25H28F2N2O
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name4-(2,5-difluorophenyl)-N,2-dimethyl-2-phenyl-N-piperidin-4-ylcyclopent-3-ene-1-carboxamide
SMILESCN(C(=O)C1CC(c2cc(F)ccc2F)=CC1(C)c1ccccc1)C1CCNCC1
InChIInChI=1S/C25H28F2N2O/c1-25(18-6-4-3-5-7-18)16-17(21-15-19(26)8-9-23(21)27)14-22(25)24(30)29(2)20-10-12-28-13-11-20/h3-9,15-16,20,22,28H,10-14H2,1-2H3
InChIKeyFYLYTOVBLPGDQZ-UHFFFAOYSA-N
XLogP4.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-N,2-dimethyl-2-phenyl-N-piperidin-4-ylcyclopent-3-ene-1-carboxamide?
The IUPAC name of 4-(2,5-difluorophenyl)-N,2-dimethyl-2-phenyl-N-piperidin-4-ylcyclopent-3-ene-1-carboxamide (CID 71188955) is 4-(2,5-difluorophenyl)-N,2-dimethyl-2-phenyl-N-piperidin-4-ylcyclopent-3-ene-1-carboxamide.
What is the SMILES notation for 4-(2,5-difluorophenyl)-N,2-dimethyl-2-phenyl-N-piperidin-4-ylcyclopent-3-ene-1-carboxamide?
The canonical SMILES for 4-(2,5-difluorophenyl)-N,2-dimethyl-2-phenyl-N-piperidin-4-ylcyclopent-3-ene-1-carboxamide is CN(C(=O)C1CC(c2cc(F)ccc2F)=CC1(C)c1ccccc1)C1CCNCC1.
What is the InChIKey of 4-(2,5-difluorophenyl)-N,2-dimethyl-2-phenyl-N-piperidin-4-ylcyclopent-3-ene-1-carboxamide?
The InChIKey is FYLYTOVBLPGDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N2O/c1-25(18-6-4-3-5-7-18)16-17(21-15-19(26)8-9-23(21)27)14-22(25)24(30)29(2)20-10-12-28-13-11-20/h3-9,15-16,20,22,28H,10-14H2,1-2H3.
What are the key properties of 4-(2,5-difluorophenyl)-N,2-dimethyl-2-phenyl-N-piperidin-4-ylcyclopent-3-ene-1-carboxamide?
4-(2,5-difluorophenyl)-N,2-dimethyl-2-phenyl-N-piperidin-4-ylcyclopent-3-ene-1-carboxamide has a molecular weight of 410.51 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-N,2-dimethyl-2-phenyl-N-piperidin-4-ylcyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 71188955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).