2-[4-(oxiran-2-yl)piperidin-1-yl]-1-phenylethanone

C15H19NO2 — CID 59305185

IUPAC2-[4-(oxiran-2-yl)piperidin-1-yl]-1-phenylethanone
SMILESO=C(CN1CCC(C2CO2)CC1)c1ccccc1
InChIInChI=1S/C15H19NO2/c17-14(12-4-2-1-3-5-12)10-16-8-6-13(7-9-16)15-11-18-15/h1-5,13,15H,6-11H2
InChIKeyJTZMLJKMMKXTME-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.98
Rot. Bonds4

About 2-[4-(oxiran-2-yl)piperidin-1-yl]-1-phenylethanone

2-[4-(oxiran-2-yl)piperidin-1-yl]-1-phenylethanone (PubChem CID 59305185) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[4-(oxiran-2-yl)piperidin-1-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[4-(oxiran-2-yl)piperidin-1-yl]-1-phenylethanone
PubChem CID59305185
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-[4-(oxiran-2-yl)piperidin-1-yl]-1-phenylethanone
SMILESO=C(CN1CCC(C2CO2)CC1)c1ccccc1
InChIInChI=1S/C15H19NO2/c17-14(12-4-2-1-3-5-12)10-16-8-6-13(7-9-16)15-11-18-15/h1-5,13,15H,6-11H2
InChIKeyJTZMLJKMMKXTME-UHFFFAOYSA-N
XLogP1.98
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[4-(oxiran-2-yl)piperidin-1-yl]-1-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanone
CID 129394491
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-phenylethanone
CID 63165103
2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-1-phenylethanone
CID 140930148
N-[(1-phenacylpiperidin-4-yl)methyl]acetamide
CID 102736676
2-(4-benzoylpiperazin-1-yl)-1-phenylethanone
CID 3599210
2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-phenylethanone
CID 2814694
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-phenylethanone
CID 110366202
N-[(1-phenacylpiperidin-4-yl)carbamoyl]benzamide
CID 12608588
2-(4-benzhydrylidenepiperidin-1-yl)-1-phenylethanone
CID 110183664
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-phenylethanone
CID 65319775
1-phenyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170628
1-phenyl-2-(3-sulfanylazetidin-1-yl)ethanone
CID 18792641

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxiran-2-yl)piperidin-1-yl]-1-phenylethanone?
The IUPAC name of 2-[4-(oxiran-2-yl)piperidin-1-yl]-1-phenylethanone (CID 59305185) is 2-[4-(oxiran-2-yl)piperidin-1-yl]-1-phenylethanone.
What is the SMILES notation for 2-[4-(oxiran-2-yl)piperidin-1-yl]-1-phenylethanone?
The canonical SMILES for 2-[4-(oxiran-2-yl)piperidin-1-yl]-1-phenylethanone is O=C(CN1CCC(C2CO2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(oxiran-2-yl)piperidin-1-yl]-1-phenylethanone?
The InChIKey is JTZMLJKMMKXTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-14(12-4-2-1-3-5-12)10-16-8-6-13(7-9-16)15-11-18-15/h1-5,13,15H,6-11H2.
What are the key properties of 2-[4-(oxiran-2-yl)piperidin-1-yl]-1-phenylethanone?
2-[4-(oxiran-2-yl)piperidin-1-yl]-1-phenylethanone has a molecular weight of 245.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxiran-2-yl)piperidin-1-yl]-1-phenylethanone is sourced from PubChem (CID 59305185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).