N-(1-cyclohexylpiperidin-4-yl)-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide

C27H34Cl2N2O3 — CID 11785424

IUPACN-(1-cyclohexylpiperidin-4-yl)-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCN(C3CCCCC3)CC2)cc1OCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C27H34Cl2N2O3/c1-33-25-10-8-20(17-26(25)34-16-13-19-7-9-21(28)18-24(19)29)27(32)30-22-11-14-31(15-12-22)23-5-3-2-4-6-23/h7-10,17-18,22-23H,2-6,11-16H2,1H3,(H,30,32)
InChIKeyAMZLIHVZFBYWEX-UHFFFAOYSA-N
MW505.49 g/mol
LogP6.15
Rot. Bonds8

About N-(1-cyclohexylpiperidin-4-yl)-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide

N-(1-cyclohexylpiperidin-4-yl)-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide (PubChem CID 11785424) has the molecular formula C27H34Cl2N2O3 and a molecular weight of 505.49 g/mol. Its IUPAC name is N-(1-cyclohexylpiperidin-4-yl)-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1-cyclohexylpiperidin-4-yl)-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide
PubChem CID11785424
Molecular FormulaC27H34Cl2N2O3
Molecular Weight505.49 g/mol
Exact Mass504.19
IUPAC NameN-(1-cyclohexylpiperidin-4-yl)-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCN(C3CCCCC3)CC2)cc1OCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C27H34Cl2N2O3/c1-33-25-10-8-20(17-26(25)34-16-13-19-7-9-21(28)18-24(19)29)27(32)30-22-11-14-31(15-12-22)23-5-3-2-4-6-23/h7-10,17-18,22-23H,2-6,11-16H2,1H3,(H,30,32)
InChIKeyAMZLIHVZFBYWEX-UHFFFAOYSA-N
XLogP6.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.49
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpiperidin-4-yl)-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide?
The IUPAC name of N-(1-cyclohexylpiperidin-4-yl)-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide (CID 11785424) is N-(1-cyclohexylpiperidin-4-yl)-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide.
What is the SMILES notation for N-(1-cyclohexylpiperidin-4-yl)-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide?
The canonical SMILES for N-(1-cyclohexylpiperidin-4-yl)-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide is COc1ccc(C(=O)NC2CCN(C3CCCCC3)CC2)cc1OCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(1-cyclohexylpiperidin-4-yl)-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide?
The InChIKey is AMZLIHVZFBYWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34Cl2N2O3/c1-33-25-10-8-20(17-26(25)34-16-13-19-7-9-21(28)18-24(19)29)27(32)30-22-11-14-31(15-12-22)23-5-3-2-4-6-23/h7-10,17-18,22-23H,2-6,11-16H2,1H3,(H,30,32).
What are the key properties of N-(1-cyclohexylpiperidin-4-yl)-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide?
N-(1-cyclohexylpiperidin-4-yl)-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide has a molecular weight of 505.49 g/mol, XLogP of 6.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpiperidin-4-yl)-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide is sourced from PubChem (CID 11785424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).