N-methyl-N-[2-[6-(piperidin-1-ylmethyl)naphthalen-1-yl]ethyl]-4-[4-(trifluoromethyl)phenyl]benzamide

C33H33F3N2O — CID 69216345

IUPACN-methyl-N-[2-[6-(piperidin-1-ylmethyl)naphthalen-1-yl]ethyl]-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCN(CCc1cccc2cc(CN3CCCCC3)ccc12)C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C33H33F3N2O/c1-37(32(39)28-11-9-25(10-12-28)26-13-15-30(16-14-26)33(34,35)36)21-18-27-6-5-7-29-22-24(8-17-31(27)29)23-38-19-3-2-4-20-38/h5-17,22H,2-4,18-21,23H2,1H3
InChIKeyFSYNAKWLKIZDQQ-UHFFFAOYSA-N
MW530.63 g/mol
LogP7.83
Rot. Bonds7

About N-methyl-N-[2-[6-(piperidin-1-ylmethyl)naphthalen-1-yl]ethyl]-4-[4-(trifluoromethyl)phenyl]benzamide

N-methyl-N-[2-[6-(piperidin-1-ylmethyl)naphthalen-1-yl]ethyl]-4-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 69216345) has the molecular formula C33H33F3N2O and a molecular weight of 530.63 g/mol. Its IUPAC name is N-methyl-N-[2-[6-(piperidin-1-ylmethyl)naphthalen-1-yl]ethyl]-4-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[2-[6-(piperidin-1-ylmethyl)naphthalen-1-yl]ethyl]-4-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID69216345
Molecular FormulaC33H33F3N2O
Molecular Weight530.63 g/mol
Exact Mass530.25
IUPAC NameN-methyl-N-[2-[6-(piperidin-1-ylmethyl)naphthalen-1-yl]ethyl]-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCN(CCc1cccc2cc(CN3CCCCC3)ccc12)C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C33H33F3N2O/c1-37(32(39)28-11-9-25(10-12-28)26-13-15-30(16-14-26)33(34,35)36)21-18-27-6-5-7-29-22-24(8-17-31(27)29)23-38-19-3-2-4-20-38/h5-17,22H,2-4,18-21,23H2,1H3
InChIKeyFSYNAKWLKIZDQQ-UHFFFAOYSA-N
XLogP7.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.63
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-methyl-N-[2-[6-(piperidin-1-ylmethyl)naphthalen-1-yl]ethyl]-4-[4-(trifluoromethyl)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-methyl-N-[2-[6-(piperidin-1-ylmethyl)naphthalen-1-yl]ethyl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-methyl-N-[2-[6-(piperidin-1-ylmethyl)naphthalen-1-yl]ethyl]-4-[4-(trifluoromethyl)phenyl]benzamide (CID 69216345) is N-methyl-N-[2-[6-(piperidin-1-ylmethyl)naphthalen-1-yl]ethyl]-4-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-methyl-N-[2-[6-(piperidin-1-ylmethyl)naphthalen-1-yl]ethyl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-methyl-N-[2-[6-(piperidin-1-ylmethyl)naphthalen-1-yl]ethyl]-4-[4-(trifluoromethyl)phenyl]benzamide is CN(CCc1cccc2cc(CN3CCCCC3)ccc12)C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-methyl-N-[2-[6-(piperidin-1-ylmethyl)naphthalen-1-yl]ethyl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is FSYNAKWLKIZDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33F3N2O/c1-37(32(39)28-11-9-25(10-12-28)26-13-15-30(16-14-26)33(34,35)36)21-18-27-6-5-7-29-22-24(8-17-31(27)29)23-38-19-3-2-4-20-38/h5-17,22H,2-4,18-21,23H2,1H3.
What are the key properties of N-methyl-N-[2-[6-(piperidin-1-ylmethyl)naphthalen-1-yl]ethyl]-4-[4-(trifluoromethyl)phenyl]benzamide?
N-methyl-N-[2-[6-(piperidin-1-ylmethyl)naphthalen-1-yl]ethyl]-4-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 530.63 g/mol, XLogP of 7.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[6-(piperidin-1-ylmethyl)naphthalen-1-yl]ethyl]-4-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 69216345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).