N-[1-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide

C32H33Cl2F6N3O — CID 19592192

IUPACN-[1-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2ccccc2)CCN(CCC(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C32H33Cl2F6N3O/c1-21(44)42-30(25-5-3-2-4-6-25)10-13-43(14-11-30)12-9-24(23-7-8-28(33)29(34)17-23)20-41-19-22-15-26(31(35,36)37)18-27(16-22)32(38,39)40/h2-8,15-18,24,41H,9-14,19-20H2,1H3,(H,42,44)
InChIKeyMZUUJBNJRPRWBY-UHFFFAOYSA-N
MW660.53 g/mol
LogP8.42
Rot. Bonds10

About N-[1-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide

N-[1-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide (PubChem CID 19592192) has the molecular formula C32H33Cl2F6N3O and a molecular weight of 660.53 g/mol. Its IUPAC name is N-[1-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide
PubChem CID19592192
Molecular FormulaC32H33Cl2F6N3O
Molecular Weight660.53 g/mol
Exact Mass659.19
IUPAC NameN-[1-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2ccccc2)CCN(CCC(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C32H33Cl2F6N3O/c1-21(44)42-30(25-5-3-2-4-6-25)10-13-43(14-11-30)12-9-24(23-7-8-28(33)29(34)17-23)20-41-19-22-15-26(31(35,36)37)18-27(16-22)32(38,39)40/h2-8,15-18,24,41H,9-14,19-20H2,1H3,(H,42,44)
InChIKeyMZUUJBNJRPRWBY-UHFFFAOYSA-N
XLogP8.42
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.53
LogP ≤ 58.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(3,4-dichlorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]acetamide
CID 44358731
(1S,2R)-2-((4-acetamido-4-phenylpiperidin-1-yl)methyl)-1-(3,4-dichlorophenyl)-N-(4-fluorobenzyl)-N-methylcyclopropanecarboxamide
CID 53321001
N-[1-((4-Acetylamino-4-phenyl-piperidin-1-yl)-{2-[4-(3,5-bis-trifluoromethyl-benzyl)-2-(3,4-dichloro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-amino)-4-phenyl-piperidin-4-yl]-acetamide
CID 44337080
2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(3,4-dichlorophenyl)-2-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]ethyl]-N-methylacetamide
CID 44358708
1-[(3,4-dichlorophenyl)-phenylmethyl]-N-propylpiperidine-4-carboxamide
CID 44528936
(E)-3-(3,4-dichlorophenyl)-N-[5-[4-[[(E)-3-[2-fluoro-5-(trifluoromethyl)phenyl]prop-2-enoyl]-methylamino]piperidin-1-yl]pentyl]prop-2-enamide
CID 44534191
(E)-3-(3,4-dichlorophenyl)-N-[5-[4-[2-[[(E)-3-[2-fluoro-5-(trifluoromethyl)phenyl]prop-2-enoyl]amino]ethyl]piperidin-1-yl]pentyl]prop-2-enamide
CID 44534205
N-[1-(3,4-dichlorophenyl)-4-(4-phenylpiperidin-1-yl)butyl]-3,5-bis(trifluoromethyl)benzamide
CID 44536888
rac-2-((4-acetamido-4-phenylpiperidin-1-yl)methyl)-1-(3,4-dichlorophenyl)-N-(2-fluorobenzyl)-N-methylcyclopropanecarboxamide
CID 53320999
rac-2-((4-acetamido-4-phenylpiperidin-1-yl)methyl)-1-(3,4-dichlorophenyl)-N-methyl-N-(3-(trifluoromethyl)benzyl)cyclopropanecarboxamide
CID 53321000
rac-2-((4-acetamido-4-phenylpiperidin-1-yl)methyl)-1-(3,4-dichlorophenyl)-N-methyl-N-(4-(trifluoromethyl)benzyl)cyclopropanecarboxamide
CID 53324972
rac-2-((4-acetamido-4-phenylpiperidin-1-yl)methyl)-1-(3,4-dichlorophenyl)-N-(3-fluorobenzyl)-N-methylcyclopropanecarboxamide
CID 53326273

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide?
The IUPAC name of N-[1-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide (CID 19592192) is N-[1-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide is CC(=O)NC1(c2ccccc2)CCN(CCC(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-[1-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide?
The InChIKey is MZUUJBNJRPRWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33Cl2F6N3O/c1-21(44)42-30(25-5-3-2-4-6-25)10-13-43(14-11-30)12-9-24(23-7-8-28(33)29(34)17-23)20-41-19-22-15-26(31(35,36)37)18-27(16-22)32(38,39)40/h2-8,15-18,24,41H,9-14,19-20H2,1H3,(H,42,44).
What are the key properties of N-[1-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide?
N-[1-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide has a molecular weight of 660.53 g/mol, XLogP of 8.42, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide is sourced from PubChem (CID 19592192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).