4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(4-methoxyphenoxy)-(propan-2-ylamino)phosphoryl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;bis(4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(4-methylphenoxy)-(propan-2-ylamino)phosphoryl]piperidin-4-yl]-1H-pyrazole-5-carboxamide);4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(2-oxo-4H-benzo[g][1,3,2]benzodioxaphosphinin-2-yl)methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide

C110H123Cl8N19O18P4 — CID 161179016

About 4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(4-methoxyphenoxy)-(propan-2-ylamino)phosphoryl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;bis(4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(4-methylphenoxy)-(propan-2-ylamino)phosphoryl]piperidin-4-yl]-1H-pyrazole-5-carboxamide);4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(2-oxo-4H-benzo[g][1,3,2]benzodioxaphosphinin-2-yl)methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide

4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(4-methoxyphenoxy)-(propan-2-ylamino)phosphoryl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;bis(4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(4-methylphenoxy)-(propan-2-ylamino)phosphoryl]piperidin-4-yl]-1H-pyrazole-5-carboxamide);4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(2-oxo-4H-benzo[g][1,3,2]benzodioxaphosphinin-2-yl)methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 161179016) has the molecular formula C110H123Cl8N19O18P4 and a molecular weight of 2406.83 g/mol. Its IUPAC name is 4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(4-methoxyphenoxy)-(propan-2-ylamino)phosphoryl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;bis(4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(4-methylphenoxy)-(propan-2-ylamino)phosphoryl]piperidin-4-yl]-1H-pyrazole-5-carboxamide);4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(2-oxo-4H-benzo[g][1,3,2]benzodioxaphosphinin-2-yl)methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(4-methoxyphenoxy)-(propan-2-ylamino)phosphoryl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;bis(4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(4-methylphenoxy)-(propan-2-ylamino)phosphoryl]piperidin-4-yl]-1H-pyrazole-5-carboxamide);4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(2-oxo-4H-benzo[g][1,3,2]benzodioxaphosphinin-2-yl)methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
• PubChem CID: 161179016
• Molecular Formula: C110H123Cl8N19O18P4
• Molecular Weight: 2406.83 g/mol
• Exact Mass: 2401.58
• IUPAC Name: 4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(4-methoxyphenoxy)-(propan-2-ylamino)phosphoryl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;bis(4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(4-methylphenoxy)-(propan-2-ylamino)phosphoryl]piperidin-4-yl]-1H-pyrazole-5-carboxamide);4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(2-oxo-4H-benzo[g][1,3,2]benzodioxaphosphinin-2-yl)methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
• SMILES: COc1ccc(OP(=O)(NC(C)C)N2CCC(NC(=O)c3[nH]ncc3CC(=O)c3c(Cl)cccc3Cl)CC2)cc1.Cc1ccc(OP(=O)(NC(C)C)N2CCC(NC(=O)c3[nH]ncc3CC(=O)c3c(Cl)cccc3Cl)CC2)cc1.Cc1ccc(OP(=O)(NC(C)C)N2CCC(NC(=O)c3[nH]ncc3CC(=O)c3c(Cl)cccc3Cl)CC2)cc1.O=C(NC1CCN(CP2(=O)OCc3cc4ccccc4cc3O2)CC1)c1[nH]ncc1CC(=O)c1c(Cl)cccc1Cl
• InChI: InChI=1S/C29H27Cl2N4O5P.C27H32Cl2N5O5P.2C27H32Cl2N5O4P/c30-23-6-3-7-24(31)27(23)25(36)13-20-15-32-34-28(20)29(37)33-22-8-10-35(11-9-22)17-41(38)39-16-21-12-18-4-1-2-5-19(18)14-26(21)40-41;1-17(2)33-40(37,39-21-9-7-20(38-3)8-10-21)34-13-11-19(12-14-34)31-27(36)26-18(16-30-32-26)15-24(35)25-22(28)5-4-6-23(25)29;2*1-17(2)33-39(37,38-21-9-7-18(3)8-10-21)34-13-11-20(12-14-34)31-27(36)26-19(16-30-32-26)15-24(35)25-22(28)5-4-6-23(25)29/h1-7,12,14-15,22H,8-11,13,16-17H2,(H,32,34)(H,33,37);4-10,16-17,19H,11-15H2,1-3H3,(H,30,32)(H,31,36)(H,33,37);2*4-10,16-17,20H,11-15H2,1-3H3,(H,30,32)(H,31,36)(H,33,37)
• InChIKey: USESNLJDRLSBBJ-UHFFFAOYSA-N
• XLogP: 23.44
• TPSA: 472.11 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 23
• Rotatable Bonds: 38
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2406.83
LogP ≤ 5	23.44
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(4-methoxyphenoxy)-(propan-2-ylamino)phosphoryl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;bis(4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(4-methylphenoxy)-(propan-2-ylamino)phosphoryl]piperidin-4-yl]-1H-pyrazole-5-carboxamide);4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(2-oxo-4H-benzo[g][1,3,2]benzodioxaphosphinin-2-yl)methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide?

The IUPAC name of 4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(4-methoxyphenoxy)-(propan-2-ylamino)phosphoryl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;bis(4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(4-methylphenoxy)-(propan-2-ylamino)phosphoryl]piperidin-4-yl]-1H-pyrazole-5-carboxamide);4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(2-oxo-4H-benzo[g][1,3,2]benzodioxaphosphinin-2-yl)methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide (CID 161179016) is 4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(4-methoxyphenoxy)-(propan-2-ylamino)phosphoryl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;bis(4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(4-methylphenoxy)-(propan-2-ylamino)phosphoryl]piperidin-4-yl]-1H-pyrazole-5-carboxamide);4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(2-oxo-4H-benzo[g][1,3,2]benzodioxaphosphinin-2-yl)methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide.

What is the SMILES notation for 4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(4-methoxyphenoxy)-(propan-2-ylamino)phosphoryl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;bis(4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(4-methylphenoxy)-(propan-2-ylamino)phosphoryl]piperidin-4-yl]-1H-pyrazole-5-carboxamide);4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(2-oxo-4H-benzo[g][1,3,2]benzodioxaphosphinin-2-yl)methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide?

The canonical SMILES for 4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(4-methoxyphenoxy)-(propan-2-ylamino)phosphoryl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;bis(4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(4-methylphenoxy)-(propan-2-ylamino)phosphoryl]piperidin-4-yl]-1H-pyrazole-5-carboxamide);4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(2-oxo-4H-benzo[g][1,3,2]benzodioxaphosphinin-2-yl)methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide is COc1ccc(OP(=O)(NC(C)C)N2CCC(NC(=O)c3[nH]ncc3CC(=O)c3c(Cl)cccc3Cl)CC2)cc1.Cc1ccc(OP(=O)(NC(C)C)N2CCC(NC(=O)c3[nH]ncc3CC(=O)c3c(Cl)cccc3Cl)CC2)cc1.Cc1ccc(OP(=O)(NC(C)C)N2CCC(NC(=O)c3[nH]ncc3CC(=O)c3c(Cl)cccc3Cl)CC2)cc1.O=C(NC1CCN(CP2(=O)OCc3cc4ccccc4cc3O2)CC1)c1[nH]ncc1CC(=O)c1c(Cl)cccc1Cl.

What is the InChIKey of 4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(4-methoxyphenoxy)-(propan-2-ylamino)phosphoryl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;bis(4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(4-methylphenoxy)-(propan-2-ylamino)phosphoryl]piperidin-4-yl]-1H-pyrazole-5-carboxamide);4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(2-oxo-4H-benzo[g][1,3,2]benzodioxaphosphinin-2-yl)methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide?

The InChIKey is USESNLJDRLSBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27Cl2N4O5P.C27H32Cl2N5O5P.2C27H32Cl2N5O4P/c30-23-6-3-7-24(31)27(23)25(36)13-20-15-32-34-28(20)29(37)33-22-8-10-35(11-9-22)17-41(38)39-16-21-12-18-4-1-2-5-19(18)14-26(21)40-41;1-17(2)33-40(37,39-21-9-7-20(38-3)8-10-21)34-13-11-19(12-14-34)31-27(36)26-18(16-30-32-26)15-24(35)25-22(28)5-4-6-23(25)29;2*1-17(2)33-39(37,38-21-9-7-18(3)8-10-21)34-13-11-20(12-14-34)31-27(36)26-19(16-30-32-26)15-24(35)25-22(28)5-4-6-23(25)29/h1-7,12,14-15,22H,8-11,13,16-17H2,(H,32,34)(H,33,37);4-10,16-17,19H,11-15H2,1-3H3,(H,30,32)(H,31,36)(H,33,37);2*4-10,16-17,20H,11-15H2,1-3H3,(H,30,32)(H,31,36)(H,33,37).

What are the key properties of 4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(4-methoxyphenoxy)-(propan-2-ylamino)phosphoryl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;bis(4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(4-methylphenoxy)-(propan-2-ylamino)phosphoryl]piperidin-4-yl]-1H-pyrazole-5-carboxamide);4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(2-oxo-4H-benzo[g][1,3,2]benzodioxaphosphinin-2-yl)methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide?

4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(4-methoxyphenoxy)-(propan-2-ylamino)phosphoryl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;bis(4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(4-methylphenoxy)-(propan-2-ylamino)phosphoryl]piperidin-4-yl]-1H-pyrazole-5-carboxamide);4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(2-oxo-4H-benzo[g][1,3,2]benzodioxaphosphinin-2-yl)methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 2406.83 g/mol, XLogP of 23.44, 38 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(4-methoxyphenoxy)-(propan-2-ylamino)phosphoryl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;bis(4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(4-methylphenoxy)-(propan-2-ylamino)phosphoryl]piperidin-4-yl]-1H-pyrazole-5-carboxamide);4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[(2-oxo-4H-benzo[g][1,3,2]benzodioxaphosphinin-2-yl)methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 161179016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).