(3S,5R)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)-5-N-(2-methylpropyl)piperidine-3,5-dicarboxamide

C28H48N4O4 — CID 25143368

About (3S,5R)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)-5-N-(2-methylpropyl)piperidine-3,5-dicarboxamide

(3S,5R)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)-5-N-(2-methylpropyl)piperidine-3,5-dicarboxamide (PubChem CID 25143368) has the molecular formula C28H48N4O4 and a molecular weight of 504.72 g/mol. Its IUPAC name is (3S,5R)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)-5-N-(2-methylpropyl)piperidine-3,5-dicarboxamide.

Molecular Properties

• Compound Name: (3S,5R)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)-5-N-(2-methylpropyl)piperidine-3,5-dicarboxamide
• PubChem CID: 25143368
• Molecular Formula: C28H48N4O4
• Molecular Weight: 504.72 g/mol
• Exact Mass: 504.37
• IUPAC Name: (3S,5R)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)-5-N-(2-methylpropyl)piperidine-3,5-dicarboxamide
• SMILES: CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(CC(C)C)c2cc(OC)c(C(C)C)cn2)C1
• InChI: InChI=1S/C28H48N4O4/c1-9-36-17-23(10-18(2)3)31-27(33)21-11-22(14-29-13-21)28(34)32(16-19(4)5)26-12-25(35-8)24(15-30-26)20(6)7/h12,15,18-23,29H,9-11,13-14,16-17H2,1-8H3,(H,31,33)/t21-,22+,23+/m0/s1
• InChIKey: DTAYEDRKQOIBAU-YTFSRNRJSA-N
• XLogP: 4.00
• TPSA: 92.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.72
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)-5-N-(2-methylpropyl)piperidine-3,5-dicarboxamide?

The IUPAC name of (3S,5R)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)-5-N-(2-methylpropyl)piperidine-3,5-dicarboxamide (CID 25143368) is (3S,5R)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)-5-N-(2-methylpropyl)piperidine-3,5-dicarboxamide.

What is the SMILES notation for (3S,5R)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)-5-N-(2-methylpropyl)piperidine-3,5-dicarboxamide?

The canonical SMILES for (3S,5R)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)-5-N-(2-methylpropyl)piperidine-3,5-dicarboxamide is CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(CC(C)C)c2cc(OC)c(C(C)C)cn2)C1.

What is the InChIKey of (3S,5R)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)-5-N-(2-methylpropyl)piperidine-3,5-dicarboxamide?

The InChIKey is DTAYEDRKQOIBAU-YTFSRNRJSA-N. The full InChI is InChI=1S/C28H48N4O4/c1-9-36-17-23(10-18(2)3)31-27(33)21-11-22(14-29-13-21)28(34)32(16-19(4)5)26-12-25(35-8)24(15-30-26)20(6)7/h12,15,18-23,29H,9-11,13-14,16-17H2,1-8H3,(H,31,33)/t21-,22+,23+/m0/s1.

What are the key properties of (3S,5R)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)-5-N-(2-methylpropyl)piperidine-3,5-dicarboxamide?

(3S,5R)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)-5-N-(2-methylpropyl)piperidine-3,5-dicarboxamide has a molecular weight of 504.72 g/mol, XLogP of 4.00, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,5R)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)-5-N-(2-methylpropyl)piperidine-3,5-dicarboxamide is sourced from PubChem (CID 25143368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).