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

C27H45ClN4O4 — CID 118709242

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

(3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;hydrochloride (PubChem CID 118709242) has the molecular formula C27H45ClN4O4 and a molecular weight of 525.13 g/mol. Its IUPAC name is (3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;hydrochloride.

Molecular Properties

• Compound Name: (3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;hydrochloride
• PubChem CID: 118709242
• Molecular Formula: C27H45ClN4O4
• Molecular Weight: 525.13 g/mol
• Exact Mass: 524.31
• IUPAC Name: (3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;hydrochloride
• SMILES: CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2cc(OC)c(C(C)C)cn2)C2CC2)C1.Cl
• InChI: InChI=1S/C27H44N4O4.ClH/c1-7-35-16-21(10-17(2)3)30-26(32)19-11-20(14-28-13-19)27(33)31(22-8-9-22)25-12-24(34-6)23(15-29-25)18(4)5;/h12,15,17-22,28H,7-11,13-14,16H2,1-6H3,(H,30,32);1H/t19-,20+,21+;/m0./s1
• InChIKey: VLEZFDHZVCOWDP-HWAJWLCKSA-N
• XLogP: 3.92
• TPSA: 92.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.13
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;hydrochloride (CID 118709242) is (3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;hydrochloride.

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

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

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

The InChIKey is VLEZFDHZVCOWDP-HWAJWLCKSA-N. The full InChI is InChI=1S/C27H44N4O4.ClH/c1-7-35-16-21(10-17(2)3)30-26(32)19-11-20(14-28-13-19)27(33)31(22-8-9-22)25-12-24(34-6)23(15-29-25)18(4)5;/h12,15,17-22,28H,7-11,13-14,16H2,1-6H3,(H,30,32);1H/t19-,20+,21+;/m0./s1.

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

(3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;hydrochloride has a molecular weight of 525.13 g/mol, XLogP of 3.92, 12 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-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;hydrochloride is sourced from PubChem (CID 118709242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).