5-(2-aminoethoxyimino)-1,5-diphenyl-4-piperidin-1-ylpentan-1-one

C24H31N3O2 — CID 173316796

IUPAC5-(2-aminoethoxyimino)-1,5-diphenyl-4-piperidin-1-ylpentan-1-one
SMILESNCCON=C(c1ccccc1)C(CCC(=O)c1ccccc1)N1CCCCC1
InChIInChI=1S/C24H31N3O2/c25-16-19-29-26-24(21-12-6-2-7-13-21)22(27-17-8-3-9-18-27)14-15-23(28)20-10-4-1-5-11-20/h1-2,4-7,10-13,22H,3,8-9,14-19,25H2
InChIKeyYEMFOTFQYKSRIA-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.88
Rot. Bonds10

About 5-(2-aminoethoxyimino)-1,5-diphenyl-4-piperidin-1-ylpentan-1-one

5-(2-aminoethoxyimino)-1,5-diphenyl-4-piperidin-1-ylpentan-1-one (PubChem CID 173316796) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 5-(2-aminoethoxyimino)-1,5-diphenyl-4-piperidin-1-ylpentan-1-one.

Molecular Properties

Compound Name5-(2-aminoethoxyimino)-1,5-diphenyl-4-piperidin-1-ylpentan-1-one
PubChem CID173316796
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name5-(2-aminoethoxyimino)-1,5-diphenyl-4-piperidin-1-ylpentan-1-one
SMILESNCCON=C(c1ccccc1)C(CCC(=O)c1ccccc1)N1CCCCC1
InChIInChI=1S/C24H31N3O2/c25-16-19-29-26-24(21-12-6-2-7-13-21)22(27-17-8-3-9-18-27)14-15-23(28)20-10-4-1-5-11-20/h1-2,4-7,10-13,22H,3,8-9,14-19,25H2
InChIKeyYEMFOTFQYKSRIA-UHFFFAOYSA-N
XLogP3.88
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2-aminoethoxyimino)-5-phenyl-4-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]pentan-1-one
CID 173316646
(2R,7R)-1,8-diphenyl-2,7-di(piperidin-1-yl)octane-1,8-dione
CID 31275145
1-phenyl-3-(3-piperidin-1-yloctoxy)propan-1-one
CID 54538092
dimethyl 2-(3-oxo-3-phenylpropyl)propanedioate
CID 13380846
(2S)-1-phenyl-2-pyrrolidin-1-ylpentan-1-one
CID 86310958
1-phenyl-3-pyrrolidin-1-yl-3-sulfanylpropan-1-one
CID 175347189
2-methyl-5-oxo-5-phenylpentanoic acid
CID 13462808
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-phenylpropan-1-one
CID 118909812
4-(4-chlorophenyl)-4-oxo-2-piperidin-1-ylbutanoic acid;hydrate
CID 21152996
4-amino-1,4-diphenylbutan-1-one
CID 116570833
3-amino-N-[[1-(4-oxo-4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579480
methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate
CID 20833938

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethoxyimino)-1,5-diphenyl-4-piperidin-1-ylpentan-1-one?
The IUPAC name of 5-(2-aminoethoxyimino)-1,5-diphenyl-4-piperidin-1-ylpentan-1-one (CID 173316796) is 5-(2-aminoethoxyimino)-1,5-diphenyl-4-piperidin-1-ylpentan-1-one.
What is the SMILES notation for 5-(2-aminoethoxyimino)-1,5-diphenyl-4-piperidin-1-ylpentan-1-one?
The canonical SMILES for 5-(2-aminoethoxyimino)-1,5-diphenyl-4-piperidin-1-ylpentan-1-one is NCCON=C(c1ccccc1)C(CCC(=O)c1ccccc1)N1CCCCC1.
What is the InChIKey of 5-(2-aminoethoxyimino)-1,5-diphenyl-4-piperidin-1-ylpentan-1-one?
The InChIKey is YEMFOTFQYKSRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c25-16-19-29-26-24(21-12-6-2-7-13-21)22(27-17-8-3-9-18-27)14-15-23(28)20-10-4-1-5-11-20/h1-2,4-7,10-13,22H,3,8-9,14-19,25H2.
What are the key properties of 5-(2-aminoethoxyimino)-1,5-diphenyl-4-piperidin-1-ylpentan-1-one?
5-(2-aminoethoxyimino)-1,5-diphenyl-4-piperidin-1-ylpentan-1-one has a molecular weight of 393.53 g/mol, XLogP of 3.88, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxyimino)-1,5-diphenyl-4-piperidin-1-ylpentan-1-one is sourced from PubChem (CID 173316796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).