N-[[1-(5-amino-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methylbenzamide;molecular hydrogen

C24H29Cl2N5O3 — CID 161125783

About N-[[1-(5-amino-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methylbenzamide;molecular hydrogen

N-[[1-(5-amino-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methylbenzamide;molecular hydrogen (PubChem CID 161125783) has the molecular formula C24H29Cl2N5O3 and a molecular weight of 506.43 g/mol. Its IUPAC name is N-[[1-(5-amino-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methylbenzamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[[1-(5-amino-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methylbenzamide;molecular hydrogen
• PubChem CID: 161125783
• Molecular Formula: C24H29Cl2N5O3
• Molecular Weight: 506.43 g/mol
• Exact Mass: 505.16
• IUPAC Name: N-[[1-(5-amino-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methylbenzamide;molecular hydrogen
• SMILES: Cc1ccc(C(=O)NCC2CCN(c3noc(N)n3)CC2)cc1OCCc1ccc(Cl)cc1Cl.[H][H]
• InChI: InChI=1S/C24H27Cl2N5O3.H2/c1-15-2-3-18(12-21(15)33-11-8-17-4-5-19(25)13-20(17)26)22(32)28-14-16-6-9-31(10-7-16)24-29-23(27)34-30-24;/h2-5,12-13,16H,6-11,14H2,1H3,(H,28,32)(H2,27,29,30);1H
• InChIKey: ULNPNJVORISPFB-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 106.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.43
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-amino-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methylbenzamide;molecular hydrogen?

The IUPAC name of N-[[1-(5-amino-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methylbenzamide;molecular hydrogen (CID 161125783) is N-[[1-(5-amino-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methylbenzamide;molecular hydrogen.

What is the SMILES notation for N-[[1-(5-amino-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methylbenzamide;molecular hydrogen?

The canonical SMILES for N-[[1-(5-amino-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methylbenzamide;molecular hydrogen is Cc1ccc(C(=O)NCC2CCN(c3noc(N)n3)CC2)cc1OCCc1ccc(Cl)cc1Cl.[H][H].

What is the InChIKey of N-[[1-(5-amino-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methylbenzamide;molecular hydrogen?

The InChIKey is ULNPNJVORISPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N5O3.H2/c1-15-2-3-18(12-21(15)33-11-8-17-4-5-19(25)13-20(17)26)22(32)28-14-16-6-9-31(10-7-16)24-29-23(27)34-30-24;/h2-5,12-13,16H,6-11,14H2,1H3,(H,28,32)(H2,27,29,30);1H.

What are the key properties of N-[[1-(5-amino-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methylbenzamide;molecular hydrogen?

N-[[1-(5-amino-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methylbenzamide;molecular hydrogen has a molecular weight of 506.43 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-(5-amino-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methylbenzamide;molecular hydrogen is sourced from PubChem (CID 161125783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).