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

C26H30F2N2O — CID 58638058

IUPAC4-(2,5-difluorophenyl)-2-ethyl-N-methyl-2-phenyl-N-piperidin-4-ylcyclopent-3-ene-1-carboxamide
SMILESCCC1(c2ccccc2)C=C(c2cc(F)ccc2F)CC1C(=O)N(C)C1CCNCC1
InChIInChI=1S/C26H30F2N2O/c1-3-26(19-7-5-4-6-8-19)17-18(22-16-20(27)9-10-24(22)28)15-23(26)25(31)30(2)21-11-13-29-14-12-21/h4-10,16-17,21,23,29H,3,11-15H2,1-2H3
InChIKeyDAESCGHTDQGPNS-UHFFFAOYSA-N
MW424.54 g/mol
LogP4.93
Rot. Bonds5

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

4-(2,5-difluorophenyl)-2-ethyl-N-methyl-2-phenyl-N-piperidin-4-ylcyclopent-3-ene-1-carboxamide (PubChem CID 58638058) has the molecular formula C26H30F2N2O and a molecular weight of 424.54 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-2-ethyl-N-methyl-2-phenyl-N-piperidin-4-ylcyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-2-ethyl-N-methyl-2-phenyl-N-piperidin-4-ylcyclopent-3-ene-1-carboxamide
PubChem CID58638058
Molecular FormulaC26H30F2N2O
Molecular Weight424.54 g/mol
Exact Mass424.23
IUPAC Name4-(2,5-difluorophenyl)-2-ethyl-N-methyl-2-phenyl-N-piperidin-4-ylcyclopent-3-ene-1-carboxamide
SMILESCCC1(c2ccccc2)C=C(c2cc(F)ccc2F)CC1C(=O)N(C)C1CCNCC1
InChIInChI=1S/C26H30F2N2O/c1-3-26(19-7-5-4-6-8-19)17-18(22-16-20(27)9-10-24(22)28)15-23(26)25(31)30(2)21-11-13-29-14-12-21/h4-10,16-17,21,23,29H,3,11-15H2,1-2H3
InChIKeyDAESCGHTDQGPNS-UHFFFAOYSA-N
XLogP4.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.93
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)-2-ethyl-N-methyl-2-phenyl-N-piperidin-4-ylcyclopent-3-ene-1-carboxamide?
The IUPAC name of 4-(2,5-difluorophenyl)-2-ethyl-N-methyl-2-phenyl-N-piperidin-4-ylcyclopent-3-ene-1-carboxamide (CID 58638058) is 4-(2,5-difluorophenyl)-2-ethyl-N-methyl-2-phenyl-N-piperidin-4-ylcyclopent-3-ene-1-carboxamide.
What is the SMILES notation for 4-(2,5-difluorophenyl)-2-ethyl-N-methyl-2-phenyl-N-piperidin-4-ylcyclopent-3-ene-1-carboxamide?
The canonical SMILES for 4-(2,5-difluorophenyl)-2-ethyl-N-methyl-2-phenyl-N-piperidin-4-ylcyclopent-3-ene-1-carboxamide is CCC1(c2ccccc2)C=C(c2cc(F)ccc2F)CC1C(=O)N(C)C1CCNCC1.
What is the InChIKey of 4-(2,5-difluorophenyl)-2-ethyl-N-methyl-2-phenyl-N-piperidin-4-ylcyclopent-3-ene-1-carboxamide?
The InChIKey is DAESCGHTDQGPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N2O/c1-3-26(19-7-5-4-6-8-19)17-18(22-16-20(27)9-10-24(22)28)15-23(26)25(31)30(2)21-11-13-29-14-12-21/h4-10,16-17,21,23,29H,3,11-15H2,1-2H3.
What are the key properties of 4-(2,5-difluorophenyl)-2-ethyl-N-methyl-2-phenyl-N-piperidin-4-ylcyclopent-3-ene-1-carboxamide?
4-(2,5-difluorophenyl)-2-ethyl-N-methyl-2-phenyl-N-piperidin-4-ylcyclopent-3-ene-1-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-2-ethyl-N-methyl-2-phenyl-N-piperidin-4-ylcyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 58638058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).