[[1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methyl] N-(4-chlorophenyl)carbamate

C32H29ClF3N3O3 — CID 11671587

IUPAC[[1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methyl] N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)OC(c1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccc(Oc3ccccn3)cc2)CC1
InChIInChI=1S/C32H29ClF3N3O3/c33-26-10-12-27(13-11-26)38-31(40)42-30(23-6-8-25(9-7-23)32(34,35)36)24-16-19-39(20-17-24)21-22-4-14-28(15-5-22)41-29-3-1-2-18-37-29/h1-15,18,24,30H,16-17,19-21H2,(H,38,40)
InChIKeyNDICHKVEDMZKSQ-UHFFFAOYSA-N
MW596.05 g/mol
LogP8.75
Rot. Bonds8

About [[1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methyl] N-(4-chlorophenyl)carbamate

[[1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methyl] N-(4-chlorophenyl)carbamate (PubChem CID 11671587) has the molecular formula C32H29ClF3N3O3 and a molecular weight of 596.05 g/mol. Its IUPAC name is [[1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methyl] N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name[[1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methyl] N-(4-chlorophenyl)carbamate
PubChem CID11671587
Molecular FormulaC32H29ClF3N3O3
Molecular Weight596.05 g/mol
Exact Mass595.18
IUPAC Name[[1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methyl] N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)OC(c1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccc(Oc3ccccn3)cc2)CC1
InChIInChI=1S/C32H29ClF3N3O3/c33-26-10-12-27(13-11-26)38-31(40)42-30(23-6-8-25(9-7-23)32(34,35)36)24-16-19-39(20-17-24)21-22-4-14-28(15-5-22)41-29-3-1-2-18-37-29/h1-15,18,24,30H,16-17,19-21H2,(H,38,40)
InChIKeyNDICHKVEDMZKSQ-UHFFFAOYSA-N
XLogP8.75
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.05
LogP ≤ 58.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [[1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methyl] N-(4-chlorophenyl)carbamate 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

[1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 171984960
1-[(4-chlorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45022180
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 75370235
1-benzyl-1-(1-benzylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 126711712
[1-[(4-pyrazin-2-yloxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol
CID 171984961
4-[(4-chlorophenyl)methyl]-3-(4-pyridin-2-yloxyanilino)-6-(trifluoromethyl)-1,2,4-triazin-5-one
CID 121372533
(4-chlorophenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate
CID 171824774
2-(4-chlorophenoxy)-2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 142457657
1,1-dimethylcyclopropane;ethane;4-[(4-methylphenyl)-[4-(trifluoromethoxy)phenyl]methyl]-1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-ol
CID 143201465
N-methyl-N-[(1S)-2-phenyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 42318970
4-[(4-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 6470193
N-[6-[4-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide
CID 68522071

Frequently Asked Questions

What is the IUPAC name of [[1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methyl] N-(4-chlorophenyl)carbamate?
The IUPAC name of [[1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methyl] N-(4-chlorophenyl)carbamate (CID 11671587) is [[1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methyl] N-(4-chlorophenyl)carbamate.
What is the SMILES notation for [[1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methyl] N-(4-chlorophenyl)carbamate?
The canonical SMILES for [[1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methyl] N-(4-chlorophenyl)carbamate is O=C(Nc1ccc(Cl)cc1)OC(c1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccc(Oc3ccccn3)cc2)CC1.
What is the InChIKey of [[1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methyl] N-(4-chlorophenyl)carbamate?
The InChIKey is NDICHKVEDMZKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29ClF3N3O3/c33-26-10-12-27(13-11-26)38-31(40)42-30(23-6-8-25(9-7-23)32(34,35)36)24-16-19-39(20-17-24)21-22-4-14-28(15-5-22)41-29-3-1-2-18-37-29/h1-15,18,24,30H,16-17,19-21H2,(H,38,40).
What are the key properties of [[1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methyl] N-(4-chlorophenyl)carbamate?
[[1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methyl] N-(4-chlorophenyl)carbamate has a molecular weight of 596.05 g/mol, XLogP of 8.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methyl] N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 11671587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).