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

C33H35Cl2F6N3O — CID 19592202

IUPACN-[1-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C33H35Cl2F6N3O/c1-22(45)42-31(26-6-4-3-5-7-26)11-14-44(15-12-31)13-10-25(24-8-9-29(34)30(35)18-24)21-43(2)20-23-16-27(32(36,37)38)19-28(17-23)33(39,40)41/h3-9,16-19,25H,10-15,20-21H2,1-2H3,(H,42,45)
InChIKeyCNQKARIAVPLCKC-UHFFFAOYSA-N
MW674.56 g/mol
LogP8.76
Rot. Bonds10

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

N-[1-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide (PubChem CID 19592202) has the molecular formula C33H35Cl2F6N3O and a molecular weight of 674.56 g/mol. Its IUPAC name is N-[1-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide
PubChem CID19592202
Molecular FormulaC33H35Cl2F6N3O
Molecular Weight674.56 g/mol
Exact Mass673.21
IUPAC NameN-[1-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C33H35Cl2F6N3O/c1-22(45)42-31(26-6-4-3-5-7-26)11-14-44(15-12-31)13-10-25(24-8-9-29(34)30(35)18-24)21-43(2)20-23-16-27(32(36,37)38)19-28(17-23)33(39,40)41/h3-9,16-19,25H,10-15,20-21H2,1-2H3,(H,42,45)
InChIKeyCNQKARIAVPLCKC-UHFFFAOYSA-N
XLogP8.76
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.56
LogP ≤ 58.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-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-[(2S)-4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide;butanedioic acid
CID 11534823
N-[5-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)pentyl]-N-methyl-2-phenylacetamide;hydrochloride
CID 70181188
N-[4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-(2-hydroxyethyl)benzamide
CID 15296471
2-[4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]benzamide
CID 139692332
[3-(4-acetamido-4-phenylpiperidin-1-yl)-1-(3,4-dichlorophenyl)propyl] 3-phenylpropanoate
CID 54080014
N-[2-[2-(4-acetamido-4-phenylpiperidin-1-yl)ethyl-methylamino]-2-(3,4-dichlorophenyl)ethyl]-N-methyl-2-phenylacetamide;dihydrochloride
CID 19692454
(2S)-N-benzyl-2-(3,4-dichlorophenyl)-N-methyl-4-spiro[2H-1-benzothiophene-3,4'-piperidine]-1'-ylbutan-1-amine
CID 102016151
N-[1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(3-phenyltriazol-4-yl)butyl]-4-phenylpiperidin-4-yl]acetamide
CID 18930314
N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-(2-ethylphenyl)piperazin-1-yl]butyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 152909076
1-[1'-[(3S)-3-(3,4-dichlorophenyl)-4-[(4-fluoronaphthalen-1-yl)methyl-methylamino]butyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]ethanone
CID 18392724
N-[5-[4-[acetyl(methyl)amino]-4-phenylpiperidin-1-yl]-2-(3,4-dichlorophenyl)pentyl]-2-phenylacetamide
CID 22361698
2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-N-benzyl-1-(3,4-dichlorophenyl)-N-methylcyclopropane-1-carboxamide;1-phenylethanamine
CID 67421707

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide?
The IUPAC name of N-[1-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide (CID 19592202) is N-[1-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl-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]methyl-methylamino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide is CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)Cc2cc(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]methyl-methylamino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide?
The InChIKey is CNQKARIAVPLCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35Cl2F6N3O/c1-22(45)42-31(26-6-4-3-5-7-26)11-14-44(15-12-31)13-10-25(24-8-9-29(34)30(35)18-24)21-43(2)20-23-16-27(32(36,37)38)19-28(17-23)33(39,40)41/h3-9,16-19,25H,10-15,20-21H2,1-2H3,(H,42,45).
What are the key properties of N-[1-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide?
N-[1-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide has a molecular weight of 674.56 g/mol, XLogP of 8.76, 10 rotatable bonds, 1 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]methyl-methylamino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide is sourced from PubChem (CID 19592202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).