(3R,4S)-N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1,2,3-trimethyl-6-oxo-4-pyridinyl)piperidine-3-carboxamide

C31H45N3O5 — CID 56683392

About (3R,4S)-N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1,2,3-trimethyl-6-oxo-4-pyridinyl)piperidine-3-carboxamide

(3R,4S)-N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1,2,3-trimethyl-6-oxo-4-pyridinyl)piperidine-3-carboxamide (PubChem CID 56683392) has the molecular formula C31H45N3O5 and a molecular weight of 539.72 g/mol. Its IUPAC name is (3R,4S)-N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1,2,3-trimethyl-6-oxo-4-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R,4S)-N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1,2,3-trimethyl-6-oxo-4-pyridinyl)piperidine-3-carboxamide
• PubChem CID: 56683392
• Molecular Formula: C31H45N3O5
• Molecular Weight: 539.72 g/mol
• Exact Mass: 539.34
• IUPAC Name: (3R,4S)-N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1,2,3-trimethyl-6-oxo-4-pyridinyl)piperidine-3-carboxamide
• SMILES: COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2cc(=O)n(C)c(C)c2C)C2CC2)cc(OCCOC)c1
• InChI: InChI=1S/C31H45N3O5/c1-21-22(2)33(3)30(35)18-28(21)27-10-11-32-19-29(27)31(36)34(25-8-9-25)20-24-15-23(7-6-12-37-4)16-26(17-24)39-14-13-38-5/h15-18,25,27,29,32H,6-14,19-20H2,1-5H3/t27-,29+/m1/s1
• InChIKey: QSXJAPNLGQJDOZ-PXJZQJOASA-N
• XLogP: 3.49
• TPSA: 82.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.72
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1,2,3-trimethyl-6-oxo-4-pyridinyl)piperidine-3-carboxamide?

The IUPAC name of (3R,4S)-N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1,2,3-trimethyl-6-oxo-4-pyridinyl)piperidine-3-carboxamide (CID 56683392) is (3R,4S)-N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1,2,3-trimethyl-6-oxo-4-pyridinyl)piperidine-3-carboxamide.

What is the SMILES notation for (3R,4S)-N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1,2,3-trimethyl-6-oxo-4-pyridinyl)piperidine-3-carboxamide?

The canonical SMILES for (3R,4S)-N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1,2,3-trimethyl-6-oxo-4-pyridinyl)piperidine-3-carboxamide is COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2cc(=O)n(C)c(C)c2C)C2CC2)cc(OCCOC)c1.

What is the InChIKey of (3R,4S)-N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1,2,3-trimethyl-6-oxo-4-pyridinyl)piperidine-3-carboxamide?

The InChIKey is QSXJAPNLGQJDOZ-PXJZQJOASA-N. The full InChI is InChI=1S/C31H45N3O5/c1-21-22(2)33(3)30(35)18-28(21)27-10-11-32-19-29(27)31(36)34(25-8-9-25)20-24-15-23(7-6-12-37-4)16-26(17-24)39-14-13-38-5/h15-18,25,27,29,32H,6-14,19-20H2,1-5H3/t27-,29+/m1/s1.

What are the key properties of (3R,4S)-N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1,2,3-trimethyl-6-oxo-4-pyridinyl)piperidine-3-carboxamide?

(3R,4S)-N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1,2,3-trimethyl-6-oxo-4-pyridinyl)piperidine-3-carboxamide has a molecular weight of 539.72 g/mol, XLogP of 3.49, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S)-N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1,2,3-trimethyl-6-oxo-4-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 56683392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).