2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-methoxyethyl)acetamide

C14H26N2O3 — CID 11912294

IUPAC2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-methoxyethyl)acetamide
SMILESCC[C@H]1CN(C(C)=O)CC[C@H]1CC(=O)NCCOC
InChIInChI=1S/C14H26N2O3/c1-4-12-10-16(11(2)17)7-5-13(12)9-14(18)15-6-8-19-3/h12-13H,4-10H2,1-3H3,(H,15,18)/t12-,13-/m0/s1
InChIKeyDAEOHFMQYYWHJP-STQMWFEESA-N
MW270.37 g/mol
LogP1.03
Rot. Bonds6

About 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-methoxyethyl)acetamide

2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 11912294) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-methoxyethyl)acetamide
PubChem CID11912294
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-methoxyethyl)acetamide
SMILESCC[C@H]1CN(C(C)=O)CC[C@H]1CC(=O)NCCOC
InChIInChI=1S/C14H26N2O3/c1-4-12-10-16(11(2)17)7-5-13(12)9-14(18)15-6-8-19-3/h12-13H,4-10H2,1-3H3,(H,15,18)/t12-,13-/m0/s1
InChIKeyDAEOHFMQYYWHJP-STQMWFEESA-N
XLogP1.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-methoxyethyl)acetamide (CID 11912294) is 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-methoxyethyl)acetamide is CC[C@H]1CN(C(C)=O)CC[C@H]1CC(=O)NCCOC.
What is the InChIKey of 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is DAEOHFMQYYWHJP-STQMWFEESA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-12-10-16(11(2)17)7-5-13(12)9-14(18)15-6-8-19-3/h12-13H,4-10H2,1-3H3,(H,15,18)/t12-,13-/m0/s1.
What are the key properties of 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-methoxyethyl)acetamide?
2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 270.37 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 11912294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).