2-(4-cyclohexylpiperazin-1-yl)-1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;N-[2-[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]piperazin-1-yl]ethyl]methanesulfonamide;2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-1-(4-methylpiperazin-1-yl)ethanone;1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-phenylpiperazin-1-yl)ethanone;1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone

C129H186N22O18S — CID 158169974

About 2-(4-cyclohexylpiperazin-1-yl)-1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;N-[2-[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]piperazin-1-yl]ethyl]methanesulfonamide;2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-1-(4-methylpiperazin-1-yl)ethanone;1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-phenylpiperazin-1-yl)ethanone;1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone

2-(4-cyclohexylpiperazin-1-yl)-1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;N-[2-[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]piperazin-1-yl]ethyl]methanesulfonamide;2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-1-(4-methylpiperazin-1-yl)ethanone;1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-phenylpiperazin-1-yl)ethanone;1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 158169974) has the molecular formula C129H186N22O18S and a molecular weight of 2365.11 g/mol. Its IUPAC name is 2-(4-cyclohexylpiperazin-1-yl)-1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;N-[2-[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]piperazin-1-yl]ethyl]methanesulfonamide;2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-1-(4-methylpiperazin-1-yl)ethanone;1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-phenylpiperazin-1-yl)ethanone;1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

• Compound Name: 2-(4-cyclohexylpiperazin-1-yl)-1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;N-[2-[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]piperazin-1-yl]ethyl]methanesulfonamide;2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-1-(4-methylpiperazin-1-yl)ethanone;1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-phenylpiperazin-1-yl)ethanone;1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone
• PubChem CID: 158169974
• Molecular Formula: C129H186N22O18S
• Molecular Weight: 2365.11 g/mol
• Exact Mass: 2363.40
• IUPAC Name: 2-(4-cyclohexylpiperazin-1-yl)-1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;N-[2-[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]piperazin-1-yl]ethyl]methanesulfonamide;2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-1-(4-methylpiperazin-1-yl)ethanone;1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-phenylpiperazin-1-yl)ethanone;1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone
• SMILES: COCCN1CCN(C(=O)CN2CCOc3ccc(C)cc32)CC1.Cc1ccc2c(c1)N(C(=O)CN1CCN(C(C)C)CC1)CCO2.Cc1ccc2c(c1)N(C(=O)CN1CCN(C3CCCCC3)CC1)CCO2.Cc1ccc2c(c1)N(C(=O)CN1CCN(c3ccccc3)CC1)CCO2.Cc1ccc2c(c1)N(CC(=O)N1CCN(C)CC1)CCO2.Cc1ccc2c(c1)N(CC(=O)N1CCN(CCNS(C)(=O)=O)CC1)CCO2.Cc1ccc2c(c1)N(CC(=O)N1CCN(CCO)CC1)CCO2
• InChI: InChI=1S/C21H31N3O2.C21H25N3O2.C18H28N4O4S.C18H27N3O3.C18H27N3O2.C17H25N3O3.C16H23N3O2/c2*1-17-7-8-20-19(15-17)24(13-14-26-20)21(25)16-22-9-11-23(12-10-22)18-5-3-2-4-6-18;1-15-3-4-17-16(13-15)22(11-12-26-17)14-18(23)21-9-7-20(8-10-21)6-5-19-27(2,24)25;1-15-3-4-17-16(13-15)21(10-12-24-17)14-18(22)20-7-5-19(6-8-20)9-11-23-2;1-14(2)20-8-6-19(7-9-20)13-18(22)21-10-11-23-17-5-4-15(3)12-16(17)21;1-14-2-3-16-15(12-14)20(9-11-23-16)13-17(22)19-6-4-18(5-7-19)8-10-21;1-13-3-4-15-14(11-13)19(9-10-21-15)12-16(20)18-7-5-17(2)6-8-18/h7-8,15,18H,2-6,9-14,16H2,1H3;2-8,15H,9-14,16H2,1H3;3-4,13,19H,5-12,14H2,1-2H3;3-4,13H,5-12,14H2,1-2H3;4-5,12,14H,6-11,13H2,1-3H3;2-3,12,21H,4-11,13H2,1H3;3-4,11H,5-10,12H2,1-2H3
• InChIKey: FXIIDVKPBQAQQB-UHFFFAOYSA-N
• XLogP: 9.13
• TPSA: 327.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 26
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2365.11
LogP ≤ 5	9.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;N-[2-[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]piperazin-1-yl]ethyl]methanesulfonamide;2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-1-(4-methylpiperazin-1-yl)ethanone;1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-phenylpiperazin-1-yl)ethanone;1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone?

The IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;N-[2-[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]piperazin-1-yl]ethyl]methanesulfonamide;2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-1-(4-methylpiperazin-1-yl)ethanone;1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-phenylpiperazin-1-yl)ethanone;1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 158169974) is 2-(4-cyclohexylpiperazin-1-yl)-1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;N-[2-[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]piperazin-1-yl]ethyl]methanesulfonamide;2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-1-(4-methylpiperazin-1-yl)ethanone;1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-phenylpiperazin-1-yl)ethanone;1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone.

What is the SMILES notation for 2-(4-cyclohexylpiperazin-1-yl)-1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;N-[2-[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]piperazin-1-yl]ethyl]methanesulfonamide;2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-1-(4-methylpiperazin-1-yl)ethanone;1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-phenylpiperazin-1-yl)ethanone;1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone?

The canonical SMILES for 2-(4-cyclohexylpiperazin-1-yl)-1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;N-[2-[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]piperazin-1-yl]ethyl]methanesulfonamide;2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-1-(4-methylpiperazin-1-yl)ethanone;1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-phenylpiperazin-1-yl)ethanone;1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone is COCCN1CCN(C(=O)CN2CCOc3ccc(C)cc32)CC1.Cc1ccc2c(c1)N(C(=O)CN1CCN(C(C)C)CC1)CCO2.Cc1ccc2c(c1)N(C(=O)CN1CCN(C3CCCCC3)CC1)CCO2.Cc1ccc2c(c1)N(C(=O)CN1CCN(c3ccccc3)CC1)CCO2.Cc1ccc2c(c1)N(CC(=O)N1CCN(C)CC1)CCO2.Cc1ccc2c(c1)N(CC(=O)N1CCN(CCNS(C)(=O)=O)CC1)CCO2.Cc1ccc2c(c1)N(CC(=O)N1CCN(CCO)CC1)CCO2.

What is the InChIKey of 2-(4-cyclohexylpiperazin-1-yl)-1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;N-[2-[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]piperazin-1-yl]ethyl]methanesulfonamide;2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-1-(4-methylpiperazin-1-yl)ethanone;1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-phenylpiperazin-1-yl)ethanone;1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone?

The InChIKey is FXIIDVKPBQAQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2.C21H25N3O2.C18H28N4O4S.C18H27N3O3.C18H27N3O2.C17H25N3O3.C16H23N3O2/c2*1-17-7-8-20-19(15-17)24(13-14-26-20)21(25)16-22-9-11-23(12-10-22)18-5-3-2-4-6-18;1-15-3-4-17-16(13-15)22(11-12-26-17)14-18(23)21-9-7-20(8-10-21)6-5-19-27(2,24)25;1-15-3-4-17-16(13-15)21(10-12-24-17)14-18(22)20-7-5-19(6-8-20)9-11-23-2;1-14(2)20-8-6-19(7-9-20)13-18(22)21-10-11-23-17-5-4-15(3)12-16(17)21;1-14-2-3-16-15(12-14)20(9-11-23-16)13-17(22)19-6-4-18(5-7-19)8-10-21;1-13-3-4-15-14(11-13)19(9-10-21-15)12-16(20)18-7-5-17(2)6-8-18/h7-8,15,18H,2-6,9-14,16H2,1H3;2-8,15H,9-14,16H2,1H3;3-4,13,19H,5-12,14H2,1-2H3;3-4,13H,5-12,14H2,1-2H3;4-5,12,14H,6-11,13H2,1-3H3;2-3,12,21H,4-11,13H2,1H3;3-4,11H,5-10,12H2,1-2H3.

What are the key properties of 2-(4-cyclohexylpiperazin-1-yl)-1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;N-[2-[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]piperazin-1-yl]ethyl]methanesulfonamide;2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-1-(4-methylpiperazin-1-yl)ethanone;1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-phenylpiperazin-1-yl)ethanone;1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone?

2-(4-cyclohexylpiperazin-1-yl)-1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;N-[2-[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]piperazin-1-yl]ethyl]methanesulfonamide;2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-1-(4-methylpiperazin-1-yl)ethanone;1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-phenylpiperazin-1-yl)ethanone;1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 2365.11 g/mol, XLogP of 9.13, 26 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclohexylpiperazin-1-yl)-1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;N-[2-[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]piperazin-1-yl]ethyl]methanesulfonamide;2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-1-(4-methylpiperazin-1-yl)ethanone;1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-phenylpiperazin-1-yl)ethanone;1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 158169974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).