2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide

C17H31N3O4 — CID 11911991

IUPAC2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide
SMILESCC[C@H]1CN(C(=O)N2CCOCC2)CC[C@H]1CC(=O)NCCOC
InChIInChI=1S/C17H31N3O4/c1-3-14-13-20(17(22)19-7-10-24-11-8-19)6-4-15(14)12-16(21)18-5-9-23-2/h14-15H,3-13H2,1-2H3,(H,18,21)/t14-,15-/m0/s1
InChIKeyMOOYIUPTPXKOLE-GJZGRUSLSA-N
MW341.45 g/mol
LogP0.94
Rot. Bonds6

About 2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide

2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 11911991) has the molecular formula C17H31N3O4 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide
PubChem CID11911991
Molecular FormulaC17H31N3O4
Molecular Weight341.45 g/mol
Exact Mass341.23
IUPAC Name2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide
SMILESCC[C@H]1CN(C(=O)N2CCOCC2)CC[C@H]1CC(=O)NCCOC
InChIInChI=1S/C17H31N3O4/c1-3-14-13-20(17(22)19-7-10-24-11-8-19)6-4-15(14)12-16(21)18-5-9-23-2/h14-15H,3-13H2,1-2H3,(H,18,21)/t14-,15-/m0/s1
InChIKeyMOOYIUPTPXKOLE-GJZGRUSLSA-N
XLogP0.94
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide (CID 11911991) is 2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide is CC[C@H]1CN(C(=O)N2CCOCC2)CC[C@H]1CC(=O)NCCOC.
What is the InChIKey of 2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is MOOYIUPTPXKOLE-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H31N3O4/c1-3-14-13-20(17(22)19-7-10-24-11-8-19)6-4-15(14)12-16(21)18-5-9-23-2/h14-15H,3-13H2,1-2H3,(H,18,21)/t14-,15-/m0/s1.
What are the key properties of 2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide?
2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 341.45 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 11911991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).