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

C17H30N2O2 — CID 40587829

IUPAC2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide
SMILESCC[C@H]1CN(C(C)=O)CC[C@H]1CC(=O)NC1CCCCC1
InChIInChI=1S/C17H30N2O2/c1-3-14-12-19(13(2)20)10-9-15(14)11-17(21)18-16-7-5-4-6-8-16/h14-16H,3-12H2,1-2H3,(H,18,21)/t14-,15-/m0/s1
InChIKeyZUJIJPDCYQQKGM-GJZGRUSLSA-N
MW294.44 g/mol
LogP2.72
Rot. Bonds4

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

2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide (PubChem CID 40587829) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide
PubChem CID40587829
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide
SMILESCC[C@H]1CN(C(C)=O)CC[C@H]1CC(=O)NC1CCCCC1
InChIInChI=1S/C17H30N2O2/c1-3-14-12-19(13(2)20)10-9-15(14)11-17(21)18-16-7-5-4-6-8-16/h14-16H,3-12H2,1-2H3,(H,18,21)/t14-,15-/m0/s1
InChIKeyZUJIJPDCYQQKGM-GJZGRUSLSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-cyclopropylacetamide
CID 11912296
2-[(3S,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide
CID 162804419
2-[(3R,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide
CID 11912038
2-(1-acetyl-3-ethylpiperidin-4-yl)-N-propylacetamide
CID 73139163
2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 11913147
3-(4-acetylpiperazin-1-yl)-N-cycloheptyl-3-oxopropanamide
CID 108944903
2-[(3R,4S)-3-[2-(4-acetylpiperazin-1-yl)ethyl]-1-(cyclohexylcarbamoyl)piperidin-4-yl]acetic acid
CID 28959904
2-(4-amino-3-ethylpiperidin-1-yl)-N-cycloheptylacetamide
CID 81458998
1-[(1-acetylpiperidin-4-yl)methyl]-3-cyclohexylurea
CID 110749270
2-(4-acetylpiperazin-1-yl)-N-cyclododecyl-2-oxoacetamide
CID 108508318
N-cyclohexyl-4-(propanoylamino)piperidine-1-carboxamide
CID 110820925
N-cyclopentyl-2-(2-methylcyclopropyl)acetamide
CID 130890904

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide (CID 40587829) is 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide is CC[C@H]1CN(C(C)=O)CC[C@H]1CC(=O)NC1CCCCC1.
What is the InChIKey of 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide?
The InChIKey is ZUJIJPDCYQQKGM-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-3-14-12-19(13(2)20)10-9-15(14)11-17(21)18-16-7-5-4-6-8-16/h14-16H,3-12H2,1-2H3,(H,18,21)/t14-,15-/m0/s1.
What are the key properties of 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide?
2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide has a molecular weight of 294.44 g/mol, XLogP of 2.72, 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-cyclohexylacetamide is sourced from PubChem (CID 40587829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).