N-[4-[4-[1-(pyridin-4-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide

C39H42F3N3O2 — CID 44532820

IUPACN-[4-[4-[1-(pyridin-4-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(NCCCCN1CCC(c2ccc3c(c2OCc2ccncc2)CCCC3)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C39H42F3N3O2/c40-39(41,42)34-14-11-30(12-15-34)29-7-9-33(10-8-29)38(46)44-21-3-4-24-45-25-19-32(20-26-45)36-16-13-31-5-1-2-6-35(31)37(36)47-27-28-17-22-43-23-18-28/h7-18,22-23,32H,1-6,19-21,24-27H2,(H,44,46)
InChIKeyDDWQCJAFYYLUKE-UHFFFAOYSA-N
MW641.78 g/mol
LogP8.61
Rot. Bonds11

About N-[4-[4-[1-(pyridin-4-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide

N-[4-[4-[1-(pyridin-4-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 44532820) has the molecular formula C39H42F3N3O2 and a molecular weight of 641.78 g/mol. Its IUPAC name is N-[4-[4-[1-(pyridin-4-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-[1-(pyridin-4-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID44532820
Molecular FormulaC39H42F3N3O2
Molecular Weight641.78 g/mol
Exact Mass641.32
IUPAC NameN-[4-[4-[1-(pyridin-4-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(NCCCCN1CCC(c2ccc3c(c2OCc2ccncc2)CCCC3)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C39H42F3N3O2/c40-39(41,42)34-14-11-30(12-15-34)29-7-9-33(10-8-29)38(46)44-21-3-4-24-45-25-19-32(20-26-45)36-16-13-31-5-1-2-6-35(31)37(36)47-27-28-17-22-43-23-18-28/h7-18,22-23,32H,1-6,19-21,24-27H2,(H,44,46)
InChIKeyDDWQCJAFYYLUKE-UHFFFAOYSA-N
XLogP8.61
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.78
LogP ≤ 58.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[4-[1-(pyridin-4-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-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

Related Compounds

N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-3-[4-(trifluoromethyl)phenyl]benzamide
CID 44532782
N-[4-[4-[4-ethyl-2-(2-hydroxyethoxy)phenyl]piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide;hydrochloride
CID 44532847
N-[4-[4-(1-methylindol-3-yl)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 10280183
6-(4-methanimidoylphenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 142849823
[4-[4-[4-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butylcarbamoyl]phenyl]boronic acid
CID 142849840
2-(4-cyanophenyl)-N-[4-[4-[1-(2-hydroxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 58657930
N-[4-[4-(2-ethoxy-4-methylanilino)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 68516334
4-(4-cyanophenyl)-N-[4-[4-[4-ethyl-2-(2-hydroxyethoxy)phenyl]piperidin-1-yl]butyl]benzamide
CID 44532853
4-(4-cyanophenyl)-N-[4-[4-[4-ethyl-2-(2-hydroxyethoxy)phenyl]piperidin-1-yl]butyl]benzamide;hydrochloride
CID 44532852
N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 123757094
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 111429533
N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[1-(pyridin-4-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[4-[4-[1-(pyridin-4-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide (CID 44532820) is N-[4-[4-[1-(pyridin-4-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[4-[4-[1-(pyridin-4-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[4-[4-[1-(pyridin-4-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide is O=C(NCCCCN1CCC(c2ccc3c(c2OCc2ccncc2)CCCC3)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[4-[4-[1-(pyridin-4-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is DDWQCJAFYYLUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42F3N3O2/c40-39(41,42)34-14-11-30(12-15-34)29-7-9-33(10-8-29)38(46)44-21-3-4-24-45-25-19-32(20-26-45)36-16-13-31-5-1-2-6-35(31)37(36)47-27-28-17-22-43-23-18-28/h7-18,22-23,32H,1-6,19-21,24-27H2,(H,44,46).
What are the key properties of N-[4-[4-[1-(pyridin-4-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide?
N-[4-[4-[1-(pyridin-4-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 641.78 g/mol, XLogP of 8.61, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[1-(pyridin-4-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 44532820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).