5-chloro-6-(3-methoxyphenyl)-1-(4-methyl-2-oxopentyl)-3-(3-piperidin-4-ylpropyl)pyrazin-2-one;2-(3-chlorophenyl)-1-(4-methyl-2-oxopentyl)-6-oxo-N-(3-piperidin-1-ylpropyl)pyrimidine-5-carboxamide;2-[3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-6-(3-methoxyphenyl)-2-oxopyrazin-1-yl]-N-propan-2-ylacetamide;2-[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-(3-methoxyphenyl)-2-oxopyrazin-1-yl]-N-propan-2-ylacetamide;1-(4-methyl-2-oxopentyl)-2-oxo-6-phenyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide

C124H166Cl2N20O15 — CID 158432784

About 5-chloro-6-(3-methoxyphenyl)-1-(4-methyl-2-oxopentyl)-3-(3-piperidin-4-ylpropyl)pyrazin-2-one;2-(3-chlorophenyl)-1-(4-methyl-2-oxopentyl)-6-oxo-N-(3-piperidin-1-ylpropyl)pyrimidine-5-carboxamide;2-[3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-6-(3-methoxyphenyl)-2-oxopyrazin-1-yl]-N-propan-2-ylacetamide;2-[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-(3-methoxyphenyl)-2-oxopyrazin-1-yl]-N-propan-2-ylacetamide;1-(4-methyl-2-oxopentyl)-2-oxo-6-phenyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide

5-chloro-6-(3-methoxyphenyl)-1-(4-methyl-2-oxopentyl)-3-(3-piperidin-4-ylpropyl)pyrazin-2-one;2-(3-chlorophenyl)-1-(4-methyl-2-oxopentyl)-6-oxo-N-(3-piperidin-1-ylpropyl)pyrimidine-5-carboxamide;2-[3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-6-(3-methoxyphenyl)-2-oxopyrazin-1-yl]-N-propan-2-ylacetamide;2-[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-(3-methoxyphenyl)-2-oxopyrazin-1-yl]-N-propan-2-ylacetamide;1-(4-methyl-2-oxopentyl)-2-oxo-6-phenyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide (PubChem CID 158432784) has the molecular formula C124H166Cl2N20O15 and a molecular weight of 2247.72 g/mol. Its IUPAC name is 5-chloro-6-(3-methoxyphenyl)-1-(4-methyl-2-oxopentyl)-3-(3-piperidin-4-ylpropyl)pyrazin-2-one;2-(3-chlorophenyl)-1-(4-methyl-2-oxopentyl)-6-oxo-N-(3-piperidin-1-ylpropyl)pyrimidine-5-carboxamide;2-[3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-6-(3-methoxyphenyl)-2-oxopyrazin-1-yl]-N-propan-2-ylacetamide;2-[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-(3-methoxyphenyl)-2-oxopyrazin-1-yl]-N-propan-2-ylacetamide;1-(4-methyl-2-oxopentyl)-2-oxo-6-phenyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-6-(3-methoxyphenyl)-1-(4-methyl-2-oxopentyl)-3-(3-piperidin-4-ylpropyl)pyrazin-2-one;2-(3-chlorophenyl)-1-(4-methyl-2-oxopentyl)-6-oxo-N-(3-piperidin-1-ylpropyl)pyrimidine-5-carboxamide;2-[3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-6-(3-methoxyphenyl)-2-oxopyrazin-1-yl]-N-propan-2-ylacetamide;2-[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-(3-methoxyphenyl)-2-oxopyrazin-1-yl]-N-propan-2-ylacetamide;1-(4-methyl-2-oxopentyl)-2-oxo-6-phenyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
• PubChem CID: 158432784
• Molecular Formula: C124H166Cl2N20O15
• Molecular Weight: 2247.72 g/mol
• Exact Mass: 2245.22
• IUPAC Name: 5-chloro-6-(3-methoxyphenyl)-1-(4-methyl-2-oxopentyl)-3-(3-piperidin-4-ylpropyl)pyrazin-2-one;2-(3-chlorophenyl)-1-(4-methyl-2-oxopentyl)-6-oxo-N-(3-piperidin-1-ylpropyl)pyrimidine-5-carboxamide;2-[3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-6-(3-methoxyphenyl)-2-oxopyrazin-1-yl]-N-propan-2-ylacetamide;2-[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-(3-methoxyphenyl)-2-oxopyrazin-1-yl]-N-propan-2-ylacetamide;1-(4-methyl-2-oxopentyl)-2-oxo-6-phenyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
• SMILES: CC(C)CC(=O)Cn1c(-c2cccc(Cl)c2)ncc(C(=O)NCCCN2CCCCC2)c1=O.CC(C)CC(=O)Cn1c(-c2ccccc2)ccc(C(=O)NCCc2ccccn2)c1=O.COc1cccc(-c2c(Cl)nc(CCCC3CCNCC3)c(=O)n2CC(=O)CC(C)C)c1.COc1cccc(-c2cnc(N3CCC(CCN(C)C)CC3)c(=O)n2CC(=O)NC(C)C)c1.COc1cccc(-c2cnc(N3CCC(CN(C)C)CC3)c(=O)n2CC(=O)NC(C)C)c1
• InChI: InChI=1S/C25H33ClN4O3.C25H34ClN3O3.C25H37N5O3.C25H27N3O3.C24H35N5O3/c1-18(2)14-21(31)17-30-23(19-8-6-9-20(26)15-19)28-16-22(25(30)33)24(32)27-10-7-13-29-11-4-3-5-12-29;1-17(2)14-20(30)16-29-23(19-7-5-8-21(15-19)32-3)24(26)28-22(25(29)31)9-4-6-18-10-12-27-13-11-18;1-18(2)27-23(31)17-30-22(20-7-6-8-21(15-20)33-5)16-26-24(25(30)32)29-13-10-19(11-14-29)9-12-28(3)4;1-18(2)16-21(29)17-28-23(19-8-4-3-5-9-19)12-11-22(25(28)31)24(30)27-15-13-20-10-6-7-14-26-20;1-17(2)26-22(30)16-29-21(19-7-6-8-20(13-19)32-5)14-25-23(24(29)31)28-11-9-18(10-12-28)15-27(3)4/h6,8-9,15-16,18H,3-5,7,10-14,17H2,1-2H3,(H,27,32);5,7-8,15,17-18,27H,4,6,9-14,16H2,1-3H3;6-8,15-16,18-19H,9-14,17H2,1-5H3,(H,27,31);3-12,14,18H,13,15-17H2,1-2H3,(H,27,30);6-8,13-14,17-18H,9-12,15-16H2,1-5H3,(H,26,30)
• InChIKey: HBWCEAKCFKQKNT-UHFFFAOYSA-N
• XLogP: 16.63
• TPSA: 397.98 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 46
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2247.72
LogP ≤ 5	16.63
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(3-methoxyphenyl)-1-(4-methyl-2-oxopentyl)-3-(3-piperidin-4-ylpropyl)pyrazin-2-one;2-(3-chlorophenyl)-1-(4-methyl-2-oxopentyl)-6-oxo-N-(3-piperidin-1-ylpropyl)pyrimidine-5-carboxamide;2-[3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-6-(3-methoxyphenyl)-2-oxopyrazin-1-yl]-N-propan-2-ylacetamide;2-[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-(3-methoxyphenyl)-2-oxopyrazin-1-yl]-N-propan-2-ylacetamide;1-(4-methyl-2-oxopentyl)-2-oxo-6-phenyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?

The IUPAC name of 5-chloro-6-(3-methoxyphenyl)-1-(4-methyl-2-oxopentyl)-3-(3-piperidin-4-ylpropyl)pyrazin-2-one;2-(3-chlorophenyl)-1-(4-methyl-2-oxopentyl)-6-oxo-N-(3-piperidin-1-ylpropyl)pyrimidine-5-carboxamide;2-[3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-6-(3-methoxyphenyl)-2-oxopyrazin-1-yl]-N-propan-2-ylacetamide;2-[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-(3-methoxyphenyl)-2-oxopyrazin-1-yl]-N-propan-2-ylacetamide;1-(4-methyl-2-oxopentyl)-2-oxo-6-phenyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide (CID 158432784) is 5-chloro-6-(3-methoxyphenyl)-1-(4-methyl-2-oxopentyl)-3-(3-piperidin-4-ylpropyl)pyrazin-2-one;2-(3-chlorophenyl)-1-(4-methyl-2-oxopentyl)-6-oxo-N-(3-piperidin-1-ylpropyl)pyrimidine-5-carboxamide;2-[3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-6-(3-methoxyphenyl)-2-oxopyrazin-1-yl]-N-propan-2-ylacetamide;2-[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-(3-methoxyphenyl)-2-oxopyrazin-1-yl]-N-propan-2-ylacetamide;1-(4-methyl-2-oxopentyl)-2-oxo-6-phenyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide.

What is the SMILES notation for 5-chloro-6-(3-methoxyphenyl)-1-(4-methyl-2-oxopentyl)-3-(3-piperidin-4-ylpropyl)pyrazin-2-one;2-(3-chlorophenyl)-1-(4-methyl-2-oxopentyl)-6-oxo-N-(3-piperidin-1-ylpropyl)pyrimidine-5-carboxamide;2-[3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-6-(3-methoxyphenyl)-2-oxopyrazin-1-yl]-N-propan-2-ylacetamide;2-[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-(3-methoxyphenyl)-2-oxopyrazin-1-yl]-N-propan-2-ylacetamide;1-(4-methyl-2-oxopentyl)-2-oxo-6-phenyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?

The canonical SMILES for 5-chloro-6-(3-methoxyphenyl)-1-(4-methyl-2-oxopentyl)-3-(3-piperidin-4-ylpropyl)pyrazin-2-one;2-(3-chlorophenyl)-1-(4-methyl-2-oxopentyl)-6-oxo-N-(3-piperidin-1-ylpropyl)pyrimidine-5-carboxamide;2-[3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-6-(3-methoxyphenyl)-2-oxopyrazin-1-yl]-N-propan-2-ylacetamide;2-[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-(3-methoxyphenyl)-2-oxopyrazin-1-yl]-N-propan-2-ylacetamide;1-(4-methyl-2-oxopentyl)-2-oxo-6-phenyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide is CC(C)CC(=O)Cn1c(-c2cccc(Cl)c2)ncc(C(=O)NCCCN2CCCCC2)c1=O.CC(C)CC(=O)Cn1c(-c2ccccc2)ccc(C(=O)NCCc2ccccn2)c1=O.COc1cccc(-c2c(Cl)nc(CCCC3CCNCC3)c(=O)n2CC(=O)CC(C)C)c1.COc1cccc(-c2cnc(N3CCC(CCN(C)C)CC3)c(=O)n2CC(=O)NC(C)C)c1.COc1cccc(-c2cnc(N3CCC(CN(C)C)CC3)c(=O)n2CC(=O)NC(C)C)c1.

What is the InChIKey of 5-chloro-6-(3-methoxyphenyl)-1-(4-methyl-2-oxopentyl)-3-(3-piperidin-4-ylpropyl)pyrazin-2-one;2-(3-chlorophenyl)-1-(4-methyl-2-oxopentyl)-6-oxo-N-(3-piperidin-1-ylpropyl)pyrimidine-5-carboxamide;2-[3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-6-(3-methoxyphenyl)-2-oxopyrazin-1-yl]-N-propan-2-ylacetamide;2-[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-(3-methoxyphenyl)-2-oxopyrazin-1-yl]-N-propan-2-ylacetamide;1-(4-methyl-2-oxopentyl)-2-oxo-6-phenyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?

The InChIKey is HBWCEAKCFKQKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN4O3.C25H34ClN3O3.C25H37N5O3.C25H27N3O3.C24H35N5O3/c1-18(2)14-21(31)17-30-23(19-8-6-9-20(26)15-19)28-16-22(25(30)33)24(32)27-10-7-13-29-11-4-3-5-12-29;1-17(2)14-20(30)16-29-23(19-7-5-8-21(15-19)32-3)24(26)28-22(25(29)31)9-4-6-18-10-12-27-13-11-18;1-18(2)27-23(31)17-30-22(20-7-6-8-21(15-20)33-5)16-26-24(25(30)32)29-13-10-19(11-14-29)9-12-28(3)4;1-18(2)16-21(29)17-28-23(19-8-4-3-5-9-19)12-11-22(25(28)31)24(30)27-15-13-20-10-6-7-14-26-20;1-17(2)26-22(30)16-29-21(19-7-6-8-20(13-19)32-5)14-25-23(24(29)31)28-11-9-18(10-12-28)15-27(3)4/h6,8-9,15-16,18H,3-5,7,10-14,17H2,1-2H3,(H,27,32);5,7-8,15,17-18,27H,4,6,9-14,16H2,1-3H3;6-8,15-16,18-19H,9-14,17H2,1-5H3,(H,27,31);3-12,14,18H,13,15-17H2,1-2H3,(H,27,30);6-8,13-14,17-18H,9-12,15-16H2,1-5H3,(H,26,30).

What are the key properties of 5-chloro-6-(3-methoxyphenyl)-1-(4-methyl-2-oxopentyl)-3-(3-piperidin-4-ylpropyl)pyrazin-2-one;2-(3-chlorophenyl)-1-(4-methyl-2-oxopentyl)-6-oxo-N-(3-piperidin-1-ylpropyl)pyrimidine-5-carboxamide;2-[3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-6-(3-methoxyphenyl)-2-oxopyrazin-1-yl]-N-propan-2-ylacetamide;2-[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-(3-methoxyphenyl)-2-oxopyrazin-1-yl]-N-propan-2-ylacetamide;1-(4-methyl-2-oxopentyl)-2-oxo-6-phenyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?

5-chloro-6-(3-methoxyphenyl)-1-(4-methyl-2-oxopentyl)-3-(3-piperidin-4-ylpropyl)pyrazin-2-one;2-(3-chlorophenyl)-1-(4-methyl-2-oxopentyl)-6-oxo-N-(3-piperidin-1-ylpropyl)pyrimidine-5-carboxamide;2-[3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-6-(3-methoxyphenyl)-2-oxopyrazin-1-yl]-N-propan-2-ylacetamide;2-[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-(3-methoxyphenyl)-2-oxopyrazin-1-yl]-N-propan-2-ylacetamide;1-(4-methyl-2-oxopentyl)-2-oxo-6-phenyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide has a molecular weight of 2247.72 g/mol, XLogP of 16.63, 46 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-6-(3-methoxyphenyl)-1-(4-methyl-2-oxopentyl)-3-(3-piperidin-4-ylpropyl)pyrazin-2-one;2-(3-chlorophenyl)-1-(4-methyl-2-oxopentyl)-6-oxo-N-(3-piperidin-1-ylpropyl)pyrimidine-5-carboxamide;2-[3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-6-(3-methoxyphenyl)-2-oxopyrazin-1-yl]-N-propan-2-ylacetamide;2-[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-(3-methoxyphenyl)-2-oxopyrazin-1-yl]-N-propan-2-ylacetamide;1-(4-methyl-2-oxopentyl)-2-oxo-6-phenyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 158432784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).