N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-piperidin-3-ylpropanamide

C17H26N2O2 — CID 107734491

IUPACN-ethyl-N-(5-hydroxy-2-methylphenyl)-3-piperidin-3-ylpropanamide
SMILESCCN(C(=O)CCC1CCCNC1)c1cc(O)ccc1C
InChIInChI=1S/C17H26N2O2/c1-3-19(16-11-15(20)8-6-13(16)2)17(21)9-7-14-5-4-10-18-12-14/h6,8,11,14,18,20H,3-5,7,9-10,12H2,1-2H3
InChIKeyCWISNMVNGVXRDB-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.83
Rot. Bonds5

About N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-piperidin-3-ylpropanamide

N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-piperidin-3-ylpropanamide (PubChem CID 107734491) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-piperidin-3-ylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-(5-hydroxy-2-methylphenyl)-3-piperidin-3-ylpropanamide
PubChem CID107734491
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-ethyl-N-(5-hydroxy-2-methylphenyl)-3-piperidin-3-ylpropanamide
SMILESCCN(C(=O)CCC1CCCNC1)c1cc(O)ccc1C
InChIInChI=1S/C17H26N2O2/c1-3-19(16-11-15(20)8-6-13(16)2)17(21)9-7-14-5-4-10-18-12-14/h6,8,11,14,18,20H,3-5,7,9-10,12H2,1-2H3
InChIKeyCWISNMVNGVXRDB-UHFFFAOYSA-N
XLogP2.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-pyrrolidin-3-ylpropanamide
CID 107734533
2-(1,4-diazepan-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide
CID 107734552
N-ethyl-N-(2-fluorophenyl)-2-piperidin-3-ylacetamide
CID 55105522
1-(2,6-difluoro-3-methylphenyl)-3-piperidin-3-ylpropan-1-one
CID 116562387
N-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylacetamide
CID 115160585
(2R)-N-ethyl-N-(5-hydroxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 28740149
N-ethyl-N-(3-methylphenyl)-3-piperidin-4-ylpropanamide
CID 62212377
1-(4-fluoro-2-methylphenyl)-4-piperidin-3-ylbutan-2-one
CID 114350384
2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 62538178
N-ethyl-N-(2-methylphenyl)-3-piperidin-2-ylpropanamide
CID 62210137
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477100
N-ethyl-N-(5-hydroxy-2-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 107734506

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-piperidin-3-ylpropanamide?
The IUPAC name of N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-piperidin-3-ylpropanamide (CID 107734491) is N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-piperidin-3-ylpropanamide.
What is the SMILES notation for N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-piperidin-3-ylpropanamide?
The canonical SMILES for N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-piperidin-3-ylpropanamide is CCN(C(=O)CCC1CCCNC1)c1cc(O)ccc1C.
What is the InChIKey of N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-piperidin-3-ylpropanamide?
The InChIKey is CWISNMVNGVXRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-19(16-11-15(20)8-6-13(16)2)17(21)9-7-14-5-4-10-18-12-14/h6,8,11,14,18,20H,3-5,7,9-10,12H2,1-2H3.
What are the key properties of N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-piperidin-3-ylpropanamide?
N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-piperidin-3-ylpropanamide has a molecular weight of 290.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-piperidin-3-ylpropanamide is sourced from PubChem (CID 107734491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).