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

C14H26N2O2 — CID 11911992

IUPAC2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-propan-2-ylacetamide
SMILESCC[C@H]1CN(C(C)=O)CC[C@H]1CC(=O)NC(C)C
InChIInChI=1S/C14H26N2O2/c1-5-12-9-16(11(4)17)7-6-13(12)8-14(18)15-10(2)3/h10,12-13H,5-9H2,1-4H3,(H,15,18)/t12-,13-/m0/s1
InChIKeyWNJQARPUTPTNON-STQMWFEESA-N
MW254.37 g/mol
LogP1.80
Rot. Bonds4

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

2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-propan-2-ylacetamide (PubChem CID 11911992) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-propan-2-ylacetamide
PubChem CID11911992
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-propan-2-ylacetamide
SMILESCC[C@H]1CN(C(C)=O)CC[C@H]1CC(=O)NC(C)C
InChIInChI=1S/C14H26N2O2/c1-5-12-9-16(11(4)17)7-6-13(12)8-14(18)15-10(2)3/h10,12-13H,5-9H2,1-4H3,(H,15,18)/t12-,13-/m0/s1
InChIKeyWNJQARPUTPTNON-STQMWFEESA-N
XLogP1.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-propan-2-ylacetamide (CID 11911992) is 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-propan-2-ylacetamide is CC[C@H]1CN(C(C)=O)CC[C@H]1CC(=O)NC(C)C.
What is the InChIKey of 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-propan-2-ylacetamide?
The InChIKey is WNJQARPUTPTNON-STQMWFEESA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-12-9-16(11(4)17)7-6-13(12)8-14(18)15-10(2)3/h10,12-13H,5-9H2,1-4H3,(H,15,18)/t12-,13-/m0/s1.
What are the key properties of 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-propan-2-ylacetamide?
2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-propan-2-ylacetamide has a molecular weight of 254.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 11911992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).