(3S,5R)-5-N-cyclopropyl-5-N-(4-ethoxy-5-ethyl-2-pyridinyl)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]piperidine-3,5-dicarboxamide;hydrochloride

C27H45ClN4O4 — CID 118709243

About (3S,5R)-5-N-cyclopropyl-5-N-(4-ethoxy-5-ethyl-2-pyridinyl)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]piperidine-3,5-dicarboxamide;hydrochloride

(3S,5R)-5-N-cyclopropyl-5-N-(4-ethoxy-5-ethyl-2-pyridinyl)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]piperidine-3,5-dicarboxamide;hydrochloride (PubChem CID 118709243) has the molecular formula C27H45ClN4O4 and a molecular weight of 525.13 g/mol. Its IUPAC name is (3S,5R)-5-N-cyclopropyl-5-N-(4-ethoxy-5-ethyl-2-pyridinyl)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]piperidine-3,5-dicarboxamide;hydrochloride.

Molecular Properties

• Compound Name: (3S,5R)-5-N-cyclopropyl-5-N-(4-ethoxy-5-ethyl-2-pyridinyl)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]piperidine-3,5-dicarboxamide;hydrochloride
• PubChem CID: 118709243
• Molecular Formula: C27H45ClN4O4
• Molecular Weight: 525.13 g/mol
• Exact Mass: 524.31
• IUPAC Name: (3S,5R)-5-N-cyclopropyl-5-N-(4-ethoxy-5-ethyl-2-pyridinyl)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]piperidine-3,5-dicarboxamide;hydrochloride
• SMILES: CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2cc(OCC)c(CC)cn2)C2CC2)C1.Cl
• InChI: InChI=1S/C27H44N4O4.ClH/c1-6-19-16-29-25(13-24(19)35-8-3)31(23-9-10-23)27(33)21-12-20(14-28-15-21)26(32)30-22(11-18(4)5)17-34-7-2;/h13,16,18,20-23,28H,6-12,14-15,17H2,1-5H3,(H,30,32);1H/t20-,21+,22+;/m0./s1
• InChIKey: PHIBGHLWVMQSFV-DWAQFSJKSA-N
• XLogP: 3.75
• 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	525.13
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-N-cyclopropyl-5-N-(4-ethoxy-5-ethyl-2-pyridinyl)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]piperidine-3,5-dicarboxamide;hydrochloride?

The IUPAC name of (3S,5R)-5-N-cyclopropyl-5-N-(4-ethoxy-5-ethyl-2-pyridinyl)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]piperidine-3,5-dicarboxamide;hydrochloride (CID 118709243) is (3S,5R)-5-N-cyclopropyl-5-N-(4-ethoxy-5-ethyl-2-pyridinyl)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]piperidine-3,5-dicarboxamide;hydrochloride.

What is the SMILES notation for (3S,5R)-5-N-cyclopropyl-5-N-(4-ethoxy-5-ethyl-2-pyridinyl)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]piperidine-3,5-dicarboxamide;hydrochloride?

The canonical SMILES for (3S,5R)-5-N-cyclopropyl-5-N-(4-ethoxy-5-ethyl-2-pyridinyl)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]piperidine-3,5-dicarboxamide;hydrochloride is CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2cc(OCC)c(CC)cn2)C2CC2)C1.Cl.

What is the InChIKey of (3S,5R)-5-N-cyclopropyl-5-N-(4-ethoxy-5-ethyl-2-pyridinyl)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]piperidine-3,5-dicarboxamide;hydrochloride?

The InChIKey is PHIBGHLWVMQSFV-DWAQFSJKSA-N. The full InChI is InChI=1S/C27H44N4O4.ClH/c1-6-19-16-29-25(13-24(19)35-8-3)31(23-9-10-23)27(33)21-12-20(14-28-15-21)26(32)30-22(11-18(4)5)17-34-7-2;/h13,16,18,20-23,28H,6-12,14-15,17H2,1-5H3,(H,30,32);1H/t20-,21+,22+;/m0./s1.

What are the key properties of (3S,5R)-5-N-cyclopropyl-5-N-(4-ethoxy-5-ethyl-2-pyridinyl)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]piperidine-3,5-dicarboxamide;hydrochloride?

(3S,5R)-5-N-cyclopropyl-5-N-(4-ethoxy-5-ethyl-2-pyridinyl)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]piperidine-3,5-dicarboxamide;hydrochloride has a molecular weight of 525.13 g/mol, XLogP of 3.75, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,5R)-5-N-cyclopropyl-5-N-(4-ethoxy-5-ethyl-2-pyridinyl)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]piperidine-3,5-dicarboxamide;hydrochloride is sourced from PubChem (CID 118709243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).