N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-2-[6-[3-(trifluoromethyl)phenyl]-1-benzothiophen-2-yl]acetamide

C34H35BrF3N3O2S — CID 142727874

IUPACN-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-2-[6-[3-(trifluoromethyl)phenyl]-1-benzothiophen-2-yl]acetamide
SMILESO=C(Cc1cc2ccc(-c3cccc(C(F)(F)F)c3)cc2s1)NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1
InChIInChI=1S/C34H35BrF3N3O2S/c35-30-16-22(4-7-31(30)43-28-8-12-39-13-9-28)21-41-14-10-27(11-15-41)40-33(42)20-29-18-25-6-5-24(19-32(25)44-29)23-2-1-3-26(17-23)34(36,37)38/h1-7,16-19,27-28,39H,8-15,20-21H2,(H,40,42)
InChIKeyRMLINSWQQYSQMF-UHFFFAOYSA-N
MW686.64 g/mol
LogP7.80
Rot. Bonds8

About N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-2-[6-[3-(trifluoromethyl)phenyl]-1-benzothiophen-2-yl]acetamide

N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-2-[6-[3-(trifluoromethyl)phenyl]-1-benzothiophen-2-yl]acetamide (PubChem CID 142727874) has the molecular formula C34H35BrF3N3O2S and a molecular weight of 686.64 g/mol. Its IUPAC name is N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-2-[6-[3-(trifluoromethyl)phenyl]-1-benzothiophen-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-2-[6-[3-(trifluoromethyl)phenyl]-1-benzothiophen-2-yl]acetamide
PubChem CID142727874
Molecular FormulaC34H35BrF3N3O2S
Molecular Weight686.64 g/mol
Exact Mass685.16
IUPAC NameN-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-2-[6-[3-(trifluoromethyl)phenyl]-1-benzothiophen-2-yl]acetamide
SMILESO=C(Cc1cc2ccc(-c3cccc(C(F)(F)F)c3)cc2s1)NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1
InChIInChI=1S/C34H35BrF3N3O2S/c35-30-16-22(4-7-31(30)43-28-8-12-39-13-9-28)21-41-14-10-27(11-15-41)40-33(42)20-29-18-25-6-5-24(19-32(25)44-29)23-2-1-3-26(17-23)34(36,37)38/h1-7,16-19,27-28,39H,8-15,20-21H2,(H,40,42)
InChIKeyRMLINSWQQYSQMF-UHFFFAOYSA-N
XLogP7.80
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.64
LogP ≤ 57.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-2-[6-[3-(trifluoromethyl)phenyl]-1-benzothiophen-2-yl]acetamide 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-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-2-[6-(3-methoxyphenyl)-1-benzothiophen-2-yl]acetamide
CID 142727836
2-(1-benzothiophen-2-yl)-N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]acetamide
CID 142727883
N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-2-(6-cyano-1-benzothiophen-2-yl)acetamide
CID 142727824
N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-2-[4-(4-methoxyphenyl)-1-benzothiophen-2-yl]acetamide
CID 142727888
N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-6-[2-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 144942935
N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-2-[5-(4-methoxyphenyl)furan-2-yl]acetamide
CID 142747250
N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-5-ethyl-1-benzothiophene-2-carboxamide
CID 134156326
N-[3,5-bis(trifluoromethyl)phenyl]-4-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperazine-1-carboxamide
CID 142744624
2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-6-cyano-4-oxochromene-2-carboxamide
CID 148526924
4-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]-N-(3-iodophenyl)piperazine-1-carboxamide
CID 142744653
N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide
CID 55945248

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-2-[6-[3-(trifluoromethyl)phenyl]-1-benzothiophen-2-yl]acetamide?
The IUPAC name of N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-2-[6-[3-(trifluoromethyl)phenyl]-1-benzothiophen-2-yl]acetamide (CID 142727874) is N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-2-[6-[3-(trifluoromethyl)phenyl]-1-benzothiophen-2-yl]acetamide.
What is the SMILES notation for N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-2-[6-[3-(trifluoromethyl)phenyl]-1-benzothiophen-2-yl]acetamide?
The canonical SMILES for N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-2-[6-[3-(trifluoromethyl)phenyl]-1-benzothiophen-2-yl]acetamide is O=C(Cc1cc2ccc(-c3cccc(C(F)(F)F)c3)cc2s1)NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1.
What is the InChIKey of N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-2-[6-[3-(trifluoromethyl)phenyl]-1-benzothiophen-2-yl]acetamide?
The InChIKey is RMLINSWQQYSQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35BrF3N3O2S/c35-30-16-22(4-7-31(30)43-28-8-12-39-13-9-28)21-41-14-10-27(11-15-41)40-33(42)20-29-18-25-6-5-24(19-32(25)44-29)23-2-1-3-26(17-23)34(36,37)38/h1-7,16-19,27-28,39H,8-15,20-21H2,(H,40,42).
What are the key properties of N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-2-[6-[3-(trifluoromethyl)phenyl]-1-benzothiophen-2-yl]acetamide?
N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-2-[6-[3-(trifluoromethyl)phenyl]-1-benzothiophen-2-yl]acetamide has a molecular weight of 686.64 g/mol, XLogP of 7.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-2-[6-[3-(trifluoromethyl)phenyl]-1-benzothiophen-2-yl]acetamide is sourced from PubChem (CID 142727874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).