N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-[4-(trifluoromethoxy)phenyl]benzamide

C28H29F3N2O2 — CID 129105317

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C28H29F3N2O2/c29-28(30,31)35-26-12-10-24(11-13-26)23-6-8-25(9-7-23)27(34)32-17-14-21-15-18-33(19-16-21)20-22-4-2-1-3-5-22/h1-13,21H,14-20H2,(H,32,34)
InChIKeyDRUCKTBXLAORLE-UHFFFAOYSA-N
MW482.55 g/mol
LogP6.28
Rot. Bonds8

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-[4-(trifluoromethoxy)phenyl]benzamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 129105317) has the molecular formula C28H29F3N2O2 and a molecular weight of 482.55 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID129105317
Molecular FormulaC28H29F3N2O2
Molecular Weight482.55 g/mol
Exact Mass482.22
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C28H29F3N2O2/c29-28(30,31)35-26-12-10-24(11-13-26)23-6-8-25(9-7-23)27(34)32-17-14-21-15-18-33(19-16-21)20-22-4-2-1-3-5-22/h1-13,21H,14-20H2,(H,32,34)
InChIKeyDRUCKTBXLAORLE-UHFFFAOYSA-N
XLogP6.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.55
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-[4-(trifluoromethoxy)phenyl]benzamide 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-[2-(1-benzylpiperidin-4-yl)ethyl]-4-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-[4-(trifluoromethoxy)phenyl]benzamide (CID 129105317) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-[4-(trifluoromethoxy)phenyl]benzamide is O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is DRUCKTBXLAORLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N2O2/c29-28(30,31)35-26-12-10-24(11-13-26)23-6-8-25(9-7-23)27(34)32-17-14-21-15-18-33(19-16-21)20-22-4-2-1-3-5-22/h1-13,21H,14-20H2,(H,32,34).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-[4-(trifluoromethoxy)phenyl]benzamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 482.55 g/mol, XLogP of 6.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 129105317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).