4-[2-[3-(3,4-dichlorophenyl)-4-[methyl-[3-(trifluoromethyl)benzoyl]amino]butyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide

C32H41Cl2F3N4O2 — CID 91514823

IUPAC4-[2-[3-(3,4-dichlorophenyl)-4-[methyl-[3-(trifluoromethyl)benzoyl]amino]butyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1(N2CCCCC2CCC(CN(C)C(=O)c2cccc(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CCNCC1
InChIInChI=1S/C32H41Cl2F3N4O2/c1-39(2)30(43)31(14-16-38-17-15-31)41-18-5-4-9-26(41)12-10-24(22-11-13-27(33)28(34)20-22)21-40(3)29(42)23-7-6-8-25(19-23)32(35,36)37/h6-8,11,13,19-20,24,26,38H,4-5,9-10,12,14-18,21H2,1-3H3
InChIKeyUXYMDRKVCYMORS-UHFFFAOYSA-N
MW641.61 g/mol
LogP6.71
Rot. Bonds9

About 4-[2-[3-(3,4-dichlorophenyl)-4-[methyl-[3-(trifluoromethyl)benzoyl]amino]butyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide

4-[2-[3-(3,4-dichlorophenyl)-4-[methyl-[3-(trifluoromethyl)benzoyl]amino]butyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 91514823) has the molecular formula C32H41Cl2F3N4O2 and a molecular weight of 641.61 g/mol. Its IUPAC name is 4-[2-[3-(3,4-dichlorophenyl)-4-[methyl-[3-(trifluoromethyl)benzoyl]amino]butyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-[2-[3-(3,4-dichlorophenyl)-4-[methyl-[3-(trifluoromethyl)benzoyl]amino]butyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID91514823
Molecular FormulaC32H41Cl2F3N4O2
Molecular Weight641.61 g/mol
Exact Mass640.26
IUPAC Name4-[2-[3-(3,4-dichlorophenyl)-4-[methyl-[3-(trifluoromethyl)benzoyl]amino]butyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1(N2CCCCC2CCC(CN(C)C(=O)c2cccc(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CCNCC1
InChIInChI=1S/C32H41Cl2F3N4O2/c1-39(2)30(43)31(14-16-38-17-15-31)41-18-5-4-9-26(41)12-10-24(22-11-13-27(33)28(34)20-22)21-40(3)29(42)23-7-6-8-25(19-23)32(35,36)37/h6-8,11,13,19-20,24,26,38H,4-5,9-10,12,14-18,21H2,1-3H3
InChIKeyUXYMDRKVCYMORS-UHFFFAOYSA-N
XLogP6.71
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.61
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[3-(3,4-dichlorophenyl)-4-[methyl-(4-phenylbenzoyl)amino]butyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide
CID 91110582
4-[2-[3-(3,4-dichlorophenyl)-4-[2,2-dimethylpropanoyl(methyl)amino]butyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide
CID 91528650
4-[2-[3-(3,4-dichlorophenyl)-4-[methyl(thiophene-3-carbonyl)amino]butyl]piperidin-1-yl]-N,N-diethylpiperidine-4-carboxamide
CID 90874145
N-[2-(3,4-dichlorophenyl)-4-[1-[4-(dimethylcarbamoyl)piperidin-4-yl]piperidin-2-yl]butyl]-N-methylpyrazine-2-carboxamide
CID 91598864
1-[3-(3,4-dichlorophenyl)-4-[(3-methoxybenzoyl)-methylamino]butyl]-N,N-dimethyl-4-piperidin-1-ylpiperidine-4-carboxamide
CID 24739700
1-[4-[(2,6-dichlorobenzoyl)-methylamino]-3-(3,4-dichlorophenyl)butyl]-N,N-dimethyl-4-piperidin-1-ylpiperidine-4-carboxamide
CID 90919992
1-[(3S)-3-(3,4-dichlorophenyl)-4-[(3,4-difluorobenzoyl)-methylamino]butyl]-N,N-dimethyl-4-piperidin-1-ylpiperidine-4-carboxamide
CID 122450291
1-[4-[(4-chlorobenzoyl)-methylamino]-3-(3,4-dichlorophenyl)butyl]-N,N-dimethyl-4-piperidin-1-ylpiperidine-4-carboxamide
CID 24739862
N-[4-[4-[benzoyl-(1-methylpiperidin-4-yl)amino]piperidin-1-yl]-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
CID 69113639
N-[4-[4-[benzoyl(cyclohexyl)amino]piperidin-1-yl]-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
CID 69113868
1-[3-(3,4-dichlorophenyl)-4-[(4-hydroxybenzoyl)-methylamino]butyl]-N,N-dimethyl-4-piperidin-1-ylpiperidine-4-carboxamide
CID 24740016
N-[2-(3,4-dichlorophenyl)-4-[4-(dimethylcarbamoyl)-4-piperidin-1-ylpiperidin-1-yl]butyl]-N-methylpyridine-4-carboxamide
CID 24738557

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(3,4-dichlorophenyl)-4-[methyl-[3-(trifluoromethyl)benzoyl]amino]butyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 4-[2-[3-(3,4-dichlorophenyl)-4-[methyl-[3-(trifluoromethyl)benzoyl]amino]butyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide (CID 91514823) is 4-[2-[3-(3,4-dichlorophenyl)-4-[methyl-[3-(trifluoromethyl)benzoyl]amino]butyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 4-[2-[3-(3,4-dichlorophenyl)-4-[methyl-[3-(trifluoromethyl)benzoyl]amino]butyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 4-[2-[3-(3,4-dichlorophenyl)-4-[methyl-[3-(trifluoromethyl)benzoyl]amino]butyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1(N2CCCCC2CCC(CN(C)C(=O)c2cccc(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CCNCC1.
What is the InChIKey of 4-[2-[3-(3,4-dichlorophenyl)-4-[methyl-[3-(trifluoromethyl)benzoyl]amino]butyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is UXYMDRKVCYMORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41Cl2F3N4O2/c1-39(2)30(43)31(14-16-38-17-15-31)41-18-5-4-9-26(41)12-10-24(22-11-13-27(33)28(34)20-22)21-40(3)29(42)23-7-6-8-25(19-23)32(35,36)37/h6-8,11,13,19-20,24,26,38H,4-5,9-10,12,14-18,21H2,1-3H3.
What are the key properties of 4-[2-[3-(3,4-dichlorophenyl)-4-[methyl-[3-(trifluoromethyl)benzoyl]amino]butyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide?
4-[2-[3-(3,4-dichlorophenyl)-4-[methyl-[3-(trifluoromethyl)benzoyl]amino]butyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 641.61 g/mol, XLogP of 6.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(3,4-dichlorophenyl)-4-[methyl-[3-(trifluoromethyl)benzoyl]amino]butyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 91514823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).