bis(1-[2-[(1-acetyl-4-phenylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone);bis(1-[2-[(1-acetyl-4-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone);1-[2-[(1-benzoyl-4-phenylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone;formaldehyde;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide

C127H153N19O21 — CID 158552080

About bis(1-[2-[(1-acetyl-4-phenylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone);bis(1-[2-[(1-acetyl-4-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone);1-[2-[(1-benzoyl-4-phenylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone;formaldehyde;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide

bis(1-[2-[(1-acetyl-4-phenylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone);bis(1-[2-[(1-acetyl-4-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone);1-[2-[(1-benzoyl-4-phenylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone;formaldehyde;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide (PubChem CID 158552080) has the molecular formula C127H153N19O21 and a molecular weight of 2281.73 g/mol. Its IUPAC name is bis(1-[2-[(1-acetyl-4-phenylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone);bis(1-[2-[(1-acetyl-4-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone);1-[2-[(1-benzoyl-4-phenylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone;formaldehyde;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide.

Molecular Properties

• Compound Name: bis(1-[2-[(1-acetyl-4-phenylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone);bis(1-[2-[(1-acetyl-4-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone);1-[2-[(1-benzoyl-4-phenylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone;formaldehyde;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide
• PubChem CID: 158552080
• Molecular Formula: C127H153N19O21
• Molecular Weight: 2281.73 g/mol
• Exact Mass: 2280.15
• IUPAC Name: bis(1-[2-[(1-acetyl-4-phenylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone);bis(1-[2-[(1-acetyl-4-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone);1-[2-[(1-benzoyl-4-phenylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone;formaldehyde;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide
• SMILES: C=O.C=O.C=O.CC(=O)N1CCC(Cc2ncc(C(=O)CO)cn2)(C(C)C)CC1.CC(=O)N1CCC(Cc2ncc(C(=O)CO)cn2)(C(C)C)CC1.CC(=O)N1CCC(Cc2ncc(C(=O)CO)cn2)(c2ccccc2)CC1.CC(=O)N1CCC(Cc2ncc(C(=O)CO)cn2)(c2ccccc2)CC1.O=C(CO)c1cnc(CC2(c3ccccc3)CCN(C(=O)Nc3ccccc3)CC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3)CCN(C(=O)c3ccccc3)CC2)nc1
• InChI: InChI=1S/C25H26N4O3.C25H25N3O3.2C20H23N3O3.2C17H25N3O3.3CH2O/c30-18-22(31)19-16-26-23(27-17-19)15-25(20-7-3-1-4-8-20)11-13-29(14-12-25)24(32)28-21-9-5-2-6-10-21;29-18-22(30)20-16-26-23(27-17-20)15-25(21-9-5-2-6-10-21)11-13-28(14-12-25)24(31)19-7-3-1-4-8-19;2*1-15(25)23-9-7-20(8-10-23,17-5-3-2-4-6-17)11-19-21-12-16(13-22-19)18(26)14-24;2*1-12(2)17(4-6-20(7-5-17)13(3)22)8-16-18-9-14(10-19-16)15(23)11-21;3*1-2/h1-10,16-17,30H,11-15,18H2,(H,28,32);1-10,16-17,29H,11-15,18H2;2*2-6,12-13,24H,7-11,14H2,1H3;2*9-10,12,21H,4-8,11H2,1-3H3;3*1H2
• InChIKey: HPVPWATVFHAHJS-UHFFFAOYSA-N
• XLogP: 12.48
• TPSA: 563.58 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 32
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2281.73
LogP ≤ 5	12.48
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of bis(1-[2-[(1-acetyl-4-phenylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone);bis(1-[2-[(1-acetyl-4-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone);1-[2-[(1-benzoyl-4-phenylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone;formaldehyde;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide?

The IUPAC name of bis(1-[2-[(1-acetyl-4-phenylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone);bis(1-[2-[(1-acetyl-4-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone);1-[2-[(1-benzoyl-4-phenylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone;formaldehyde;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide (CID 158552080) is bis(1-[2-[(1-acetyl-4-phenylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone);bis(1-[2-[(1-acetyl-4-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone);1-[2-[(1-benzoyl-4-phenylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone;formaldehyde;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide.

What is the SMILES notation for bis(1-[2-[(1-acetyl-4-phenylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone);bis(1-[2-[(1-acetyl-4-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone);1-[2-[(1-benzoyl-4-phenylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone;formaldehyde;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide?

The canonical SMILES for bis(1-[2-[(1-acetyl-4-phenylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone);bis(1-[2-[(1-acetyl-4-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone);1-[2-[(1-benzoyl-4-phenylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone;formaldehyde;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide is C=O.C=O.C=O.CC(=O)N1CCC(Cc2ncc(C(=O)CO)cn2)(C(C)C)CC1.CC(=O)N1CCC(Cc2ncc(C(=O)CO)cn2)(C(C)C)CC1.CC(=O)N1CCC(Cc2ncc(C(=O)CO)cn2)(c2ccccc2)CC1.CC(=O)N1CCC(Cc2ncc(C(=O)CO)cn2)(c2ccccc2)CC1.O=C(CO)c1cnc(CC2(c3ccccc3)CCN(C(=O)Nc3ccccc3)CC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3)CCN(C(=O)c3ccccc3)CC2)nc1.

What is the InChIKey of bis(1-[2-[(1-acetyl-4-phenylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone);bis(1-[2-[(1-acetyl-4-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone);1-[2-[(1-benzoyl-4-phenylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone;formaldehyde;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide?

The InChIKey is HPVPWATVFHAHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3.C25H25N3O3.2C20H23N3O3.2C17H25N3O3.3CH2O/c30-18-22(31)19-16-26-23(27-17-19)15-25(20-7-3-1-4-8-20)11-13-29(14-12-25)24(32)28-21-9-5-2-6-10-21;29-18-22(30)20-16-26-23(27-17-20)15-25(21-9-5-2-6-10-21)11-13-28(14-12-25)24(31)19-7-3-1-4-8-19;2*1-15(25)23-9-7-20(8-10-23,17-5-3-2-4-6-17)11-19-21-12-16(13-22-19)18(26)14-24;2*1-12(2)17(4-6-20(7-5-17)13(3)22)8-16-18-9-14(10-19-16)15(23)11-21;3*1-2/h1-10,16-17,30H,11-15,18H2,(H,28,32);1-10,16-17,29H,11-15,18H2;2*2-6,12-13,24H,7-11,14H2,1H3;2*9-10,12,21H,4-8,11H2,1-3H3;3*1H2.

What are the key properties of bis(1-[2-[(1-acetyl-4-phenylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone);bis(1-[2-[(1-acetyl-4-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone);1-[2-[(1-benzoyl-4-phenylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone;formaldehyde;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide?

bis(1-[2-[(1-acetyl-4-phenylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone);bis(1-[2-[(1-acetyl-4-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone);1-[2-[(1-benzoyl-4-phenylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone;formaldehyde;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide has a molecular weight of 2281.73 g/mol, XLogP of 12.48, 32 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-[2-[(1-acetyl-4-phenylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone);bis(1-[2-[(1-acetyl-4-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone);1-[2-[(1-benzoyl-4-phenylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone;formaldehyde;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide is sourced from PubChem (CID 158552080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).