N-methyl-2-[2-methyl-4-[2-[(1S,2R)-1-methyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-phosphanylphenyl]acetamide

C26H39N4O3P — CID 129310335

About N-methyl-2-[2-methyl-4-[2-[(1S,2R)-1-methyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-phosphanylphenyl]acetamide

N-methyl-2-[2-methyl-4-[2-[(1S,2R)-1-methyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-phosphanylphenyl]acetamide (PubChem CID 129310335) has the molecular formula C26H39N4O3P and a molecular weight of 486.60 g/mol. Its IUPAC name is N-methyl-2-[2-methyl-4-[2-[(1S,2R)-1-methyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-phosphanylphenyl]acetamide.

Molecular Properties

• Compound Name: N-methyl-2-[2-methyl-4-[2-[(1S,2R)-1-methyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-phosphanylphenyl]acetamide
• PubChem CID: 129310335
• Molecular Formula: C26H39N4O3P
• Molecular Weight: 486.60 g/mol
• Exact Mass: 486.28
• IUPAC Name: N-methyl-2-[2-methyl-4-[2-[(1S,2R)-1-methyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-phosphanylphenyl]acetamide
• SMILES: CNC(=O)Cc1c(C)cc(OCC[C@]2(C)C[C@@H]2C2CCN(c3nc(C(C)C)no3)CC2)cc1P
• InChI: InChI=1S/C26H39N4O3P/c1-16(2)24-28-25(33-29-24)30-9-6-18(7-10-30)21-15-26(21,4)8-11-32-19-12-17(3)20(22(34)13-19)14-23(31)27-5/h12-13,16,18,21H,6-11,14-15,34H2,1-5H3,(H,27,31)/t21-,26-/m1/s1
• InChIKey: QSJMCSMGUNLOTD-QFQXNSOFSA-N
• XLogP: 4.00
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.60
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-methyl-4-[2-[(1S,2R)-1-methyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-phosphanylphenyl]acetamide?

The IUPAC name of N-methyl-2-[2-methyl-4-[2-[(1S,2R)-1-methyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-phosphanylphenyl]acetamide (CID 129310335) is N-methyl-2-[2-methyl-4-[2-[(1S,2R)-1-methyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-phosphanylphenyl]acetamide.

What is the SMILES notation for N-methyl-2-[2-methyl-4-[2-[(1S,2R)-1-methyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-phosphanylphenyl]acetamide?

The canonical SMILES for N-methyl-2-[2-methyl-4-[2-[(1S,2R)-1-methyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-phosphanylphenyl]acetamide is CNC(=O)Cc1c(C)cc(OCC[C@]2(C)C[C@@H]2C2CCN(c3nc(C(C)C)no3)CC2)cc1P.

What is the InChIKey of N-methyl-2-[2-methyl-4-[2-[(1S,2R)-1-methyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-phosphanylphenyl]acetamide?

The InChIKey is QSJMCSMGUNLOTD-QFQXNSOFSA-N. The full InChI is InChI=1S/C26H39N4O3P/c1-16(2)24-28-25(33-29-24)30-9-6-18(7-10-30)21-15-26(21,4)8-11-32-19-12-17(3)20(22(34)13-19)14-23(31)27-5/h12-13,16,18,21H,6-11,14-15,34H2,1-5H3,(H,27,31)/t21-,26-/m1/s1.

What are the key properties of N-methyl-2-[2-methyl-4-[2-[(1S,2R)-1-methyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-phosphanylphenyl]acetamide?

N-methyl-2-[2-methyl-4-[2-[(1S,2R)-1-methyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-phosphanylphenyl]acetamide has a molecular weight of 486.60 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[2-methyl-4-[2-[(1S,2R)-1-methyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-phosphanylphenyl]acetamide is sourced from PubChem (CID 129310335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).