N-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide

C25H27F3N2O2 — CID 19381047

IUPACN-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NC1CCN(CC23CC(c4ccccc42)c2ccccc23)CC1
InChIInChI=1S/C25H27F3N2O2/c26-25(27,28)16-32-14-23(31)29-17-9-11-30(12-10-17)15-24-13-20(18-5-1-3-7-21(18)24)19-6-2-4-8-22(19)24/h1-8,17,20H,9-16H2,(H,29,31)
InChIKeyMJWJTENWSUSLSL-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.98
Rot. Bonds6

About N-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 19381047) has the molecular formula C25H27F3N2O2 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID19381047
Molecular FormulaC25H27F3N2O2
Molecular Weight444.50 g/mol
Exact Mass444.20
IUPAC NameN-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NC1CCN(CC23CC(c4ccccc42)c2ccccc23)CC1
InChIInChI=1S/C25H27F3N2O2/c26-25(27,28)16-32-14-23(31)29-17-9-11-30(12-10-17)15-24-13-20(18-5-1-3-7-21(18)24)19-6-2-4-8-22(19)24/h1-8,17,20H,9-16H2,(H,29,31)
InChIKeyMJWJTENWSUSLSL-UHFFFAOYSA-N
XLogP3.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 19381047) is N-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)NC1CCN(CC23CC(c4ccccc42)c2ccccc23)CC1.
What is the InChIKey of N-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is MJWJTENWSUSLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N2O2/c26-25(27,28)16-32-14-23(31)29-17-9-11-30(12-10-17)15-24-13-20(18-5-1-3-7-21(18)24)19-6-2-4-8-22(19)24/h1-8,17,20H,9-16H2,(H,29,31).
What are the key properties of N-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 444.50 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 19381047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).