N-[2-(3,4-dichlorophenyl)-4-(4-propylpiperidin-1-yl)butyl]-N-methylbenzamide

C26H34Cl2N2O — CID 22405734

IUPACN-[2-(3,4-dichlorophenyl)-4-(4-propylpiperidin-1-yl)butyl]-N-methylbenzamide
SMILESCCCC1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C26H34Cl2N2O/c1-3-7-20-12-15-30(16-13-20)17-14-23(22-10-11-24(27)25(28)18-22)19-29(2)26(31)21-8-5-4-6-9-21/h4-6,8-11,18,20,23H,3,7,12-17,19H2,1-2H3
InChIKeyYRYHAIASPFZMBI-UHFFFAOYSA-N
MW461.48 g/mol
LogP6.75
Rot. Bonds9

About N-[2-(3,4-dichlorophenyl)-4-(4-propylpiperidin-1-yl)butyl]-N-methylbenzamide

N-[2-(3,4-dichlorophenyl)-4-(4-propylpiperidin-1-yl)butyl]-N-methylbenzamide (PubChem CID 22405734) has the molecular formula C26H34Cl2N2O and a molecular weight of 461.48 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-4-(4-propylpiperidin-1-yl)butyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-4-(4-propylpiperidin-1-yl)butyl]-N-methylbenzamide
PubChem CID22405734
Molecular FormulaC26H34Cl2N2O
Molecular Weight461.48 g/mol
Exact Mass460.20
IUPAC NameN-[2-(3,4-dichlorophenyl)-4-(4-propylpiperidin-1-yl)butyl]-N-methylbenzamide
SMILESCCCC1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C26H34Cl2N2O/c1-3-7-20-12-15-30(16-13-20)17-14-23(22-10-11-24(27)25(28)18-22)19-29(2)26(31)21-8-5-4-6-9-21/h4-6,8-11,18,20,23H,3,7,12-17,19H2,1-2H3
InChIKeyYRYHAIASPFZMBI-UHFFFAOYSA-N
XLogP6.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.48
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-4-(4-propylpiperidin-1-yl)butyl]-N-methylbenzamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-4-(4-propylpiperidin-1-yl)butyl]-N-methylbenzamide (CID 22405734) is N-[2-(3,4-dichlorophenyl)-4-(4-propylpiperidin-1-yl)butyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-4-(4-propylpiperidin-1-yl)butyl]-N-methylbenzamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-4-(4-propylpiperidin-1-yl)butyl]-N-methylbenzamide is CCCC1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-4-(4-propylpiperidin-1-yl)butyl]-N-methylbenzamide?
The InChIKey is YRYHAIASPFZMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34Cl2N2O/c1-3-7-20-12-15-30(16-13-20)17-14-23(22-10-11-24(27)25(28)18-22)19-29(2)26(31)21-8-5-4-6-9-21/h4-6,8-11,18,20,23H,3,7,12-17,19H2,1-2H3.
What are the key properties of N-[2-(3,4-dichlorophenyl)-4-(4-propylpiperidin-1-yl)butyl]-N-methylbenzamide?
N-[2-(3,4-dichlorophenyl)-4-(4-propylpiperidin-1-yl)butyl]-N-methylbenzamide has a molecular weight of 461.48 g/mol, XLogP of 6.75, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-4-(4-propylpiperidin-1-yl)butyl]-N-methylbenzamide is sourced from PubChem (CID 22405734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).