N-methyl-2-[(3R,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-prop-2-ynylacetamide

C20H30N4O3 — CID 26743346

About N-methyl-2-[(3R,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-prop-2-ynylacetamide

N-methyl-2-[(3R,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-prop-2-ynylacetamide (PubChem CID 26743346) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-methyl-2-[(3R,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-prop-2-ynylacetamide.

Molecular Properties

• Compound Name: N-methyl-2-[(3R,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-prop-2-ynylacetamide
• PubChem CID: 26743346
• Molecular Formula: C20H30N4O3
• Molecular Weight: 374.49 g/mol
• Exact Mass: 374.23
• IUPAC Name: N-methyl-2-[(3R,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-prop-2-ynylacetamide
• SMILES: C#CCN(C)C(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(CN2CCOCC2)on1
• InChI: InChI=1S/C20H30N4O3/c1-3-6-23(2)20(25)12-16-4-5-21-14-17(16)11-18-13-19(27-22-18)15-24-7-9-26-10-8-24/h1,13,16-17,21H,4-12,14-15H2,2H3/t16-,17-/m0/s1
• InChIKey: IXLAMLCAXMTXMD-IRXDYDNUSA-N
• XLogP: 0.76
• TPSA: 70.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.49
LogP ≤ 5	0.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3R,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-prop-2-ynylacetamide?

The IUPAC name of N-methyl-2-[(3R,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-prop-2-ynylacetamide (CID 26743346) is N-methyl-2-[(3R,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-prop-2-ynylacetamide.

What is the SMILES notation for N-methyl-2-[(3R,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-prop-2-ynylacetamide?

The canonical SMILES for N-methyl-2-[(3R,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-prop-2-ynylacetamide is C#CCN(C)C(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(CN2CCOCC2)on1.

What is the InChIKey of N-methyl-2-[(3R,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-prop-2-ynylacetamide?

The InChIKey is IXLAMLCAXMTXMD-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-3-6-23(2)20(25)12-16-4-5-21-14-17(16)11-18-13-19(27-22-18)15-24-7-9-26-10-8-24/h1,13,16-17,21H,4-12,14-15H2,2H3/t16-,17-/m0/s1.

What are the key properties of N-methyl-2-[(3R,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-prop-2-ynylacetamide?

N-methyl-2-[(3R,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-prop-2-ynylacetamide has a molecular weight of 374.49 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[(3R,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-prop-2-ynylacetamide is sourced from PubChem (CID 26743346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).