ethyl 2-[[1-[methyl(phenyl)carbamoyl]-4-phenylpiperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-methyl-N,4-diphenylpiperidine-1-carboxamide

C72H81N11O8 — CID 158349500

About ethyl 2-[[1-[methyl(phenyl)carbamoyl]-4-phenylpiperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-methyl-N,4-diphenylpiperidine-1-carboxamide

ethyl 2-[[1-[methyl(phenyl)carbamoyl]-4-phenylpiperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-methyl-N,4-diphenylpiperidine-1-carboxamide (PubChem CID 158349500) has the molecular formula C72H81N11O8 and a molecular weight of 1228.51 g/mol. Its IUPAC name is ethyl 2-[[1-[methyl(phenyl)carbamoyl]-4-phenylpiperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-methyl-N,4-diphenylpiperidine-1-carboxamide.

Molecular Properties

• Compound Name: ethyl 2-[[1-[methyl(phenyl)carbamoyl]-4-phenylpiperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-methyl-N,4-diphenylpiperidine-1-carboxamide
• PubChem CID: 158349500
• Molecular Formula: C72H81N11O8
• Molecular Weight: 1228.51 g/mol
• Exact Mass: 1227.63
• IUPAC Name: ethyl 2-[[1-[methyl(phenyl)carbamoyl]-4-phenylpiperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-methyl-N,4-diphenylpiperidine-1-carboxamide
• SMILES: CCOC(=O)c1cnc(CC2(c3ccccc3)CCN(C(=O)N(C)c3ccccc3)CC2)nc1.CCOC(=O)c1cnc(CC2(c3ccccc3)CCNCC2)nc1.CN(C(=O)N1CCC(Cc2ncc(C(=O)CO)cn2)(c2ccccc2)CC1)c1ccccc1
• InChI: InChI=1S/C27H30N4O3.C26H28N4O3.C19H23N3O2/c1-3-34-25(32)21-19-28-24(29-20-21)18-27(22-10-6-4-7-11-22)14-16-31(17-15-27)26(33)30(2)23-12-8-5-9-13-23;1-29(22-10-6-3-7-11-22)25(33)30-14-12-26(13-15-30,21-8-4-2-5-9-21)16-24-27-17-20(18-28-24)23(32)19-31;1-2-24-18(23)15-13-21-17(22-14-15)12-19(8-10-20-11-9-19)16-6-4-3-5-7-16/h4-13,19-20H,3,14-18H2,1-2H3;2-11,17-18,31H,12-16,19H2,1H3;3-7,13-14,20H,2,8-12H2,1H3
• InChIKey: GSDIFKQPWFAGON-UHFFFAOYSA-N
• XLogP: 10.49
• TPSA: 226.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1228.51
LogP ≤ 5	10.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-[methyl(phenyl)carbamoyl]-4-phenylpiperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-methyl-N,4-diphenylpiperidine-1-carboxamide?

The IUPAC name of ethyl 2-[[1-[methyl(phenyl)carbamoyl]-4-phenylpiperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-methyl-N,4-diphenylpiperidine-1-carboxamide (CID 158349500) is ethyl 2-[[1-[methyl(phenyl)carbamoyl]-4-phenylpiperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-methyl-N,4-diphenylpiperidine-1-carboxamide.

What is the SMILES notation for ethyl 2-[[1-[methyl(phenyl)carbamoyl]-4-phenylpiperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-methyl-N,4-diphenylpiperidine-1-carboxamide?

The canonical SMILES for ethyl 2-[[1-[methyl(phenyl)carbamoyl]-4-phenylpiperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-methyl-N,4-diphenylpiperidine-1-carboxamide is CCOC(=O)c1cnc(CC2(c3ccccc3)CCN(C(=O)N(C)c3ccccc3)CC2)nc1.CCOC(=O)c1cnc(CC2(c3ccccc3)CCNCC2)nc1.CN(C(=O)N1CCC(Cc2ncc(C(=O)CO)cn2)(c2ccccc2)CC1)c1ccccc1.

What is the InChIKey of ethyl 2-[[1-[methyl(phenyl)carbamoyl]-4-phenylpiperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-methyl-N,4-diphenylpiperidine-1-carboxamide?

The InChIKey is GSDIFKQPWFAGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3.C26H28N4O3.C19H23N3O2/c1-3-34-25(32)21-19-28-24(29-20-21)18-27(22-10-6-4-7-11-22)14-16-31(17-15-27)26(33)30(2)23-12-8-5-9-13-23;1-29(22-10-6-3-7-11-22)25(33)30-14-12-26(13-15-30,21-8-4-2-5-9-21)16-24-27-17-20(18-28-24)23(32)19-31;1-2-24-18(23)15-13-21-17(22-14-15)12-19(8-10-20-11-9-19)16-6-4-3-5-7-16/h4-13,19-20H,3,14-18H2,1-2H3;2-11,17-18,31H,12-16,19H2,1H3;3-7,13-14,20H,2,8-12H2,1H3.

What are the key properties of ethyl 2-[[1-[methyl(phenyl)carbamoyl]-4-phenylpiperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-methyl-N,4-diphenylpiperidine-1-carboxamide?

ethyl 2-[[1-[methyl(phenyl)carbamoyl]-4-phenylpiperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-methyl-N,4-diphenylpiperidine-1-carboxamide has a molecular weight of 1228.51 g/mol, XLogP of 10.49, 17 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[[1-[methyl(phenyl)carbamoyl]-4-phenylpiperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-methyl-N,4-diphenylpiperidine-1-carboxamide is sourced from PubChem (CID 158349500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).