[(2S)-1-[[(2R)-oxiran-2-yl]methyl]piperidin-2-yl]-piperidin-1-ylmethanone

C14H24N2O2 — CID 97181530

IUPAC[(2S)-1-[[(2R)-oxiran-2-yl]methyl]piperidin-2-yl]-piperidin-1-ylmethanone
SMILESO=C([C@@H]1CCCCN1C[C@@H]1CO1)N1CCCCC1
InChIInChI=1S/C14H24N2O2/c17-14(15-7-3-1-4-8-15)13-6-2-5-9-16(13)10-12-11-18-12/h12-13H,1-11H2/t12-,13+/m1/s1
InChIKeyWVWZEJFUJALBRB-OLZOCXBDSA-N
MW252.36 g/mol
LogP1.25
Rot. Bonds3

About [(2S)-1-[[(2R)-oxiran-2-yl]methyl]piperidin-2-yl]-piperidin-1-ylmethanone

[(2S)-1-[[(2R)-oxiran-2-yl]methyl]piperidin-2-yl]-piperidin-1-ylmethanone (PubChem CID 97181530) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is [(2S)-1-[[(2R)-oxiran-2-yl]methyl]piperidin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S)-1-[[(2R)-oxiran-2-yl]methyl]piperidin-2-yl]-piperidin-1-ylmethanone
PubChem CID97181530
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name[(2S)-1-[[(2R)-oxiran-2-yl]methyl]piperidin-2-yl]-piperidin-1-ylmethanone
SMILESO=C([C@@H]1CCCCN1C[C@@H]1CO1)N1CCCCC1
InChIInChI=1S/C14H24N2O2/c17-14(15-7-3-1-4-8-15)13-6-2-5-9-16(13)10-12-11-18-12/h12-13H,1-11H2/t12-,13+/m1/s1
InChIKeyWVWZEJFUJALBRB-OLZOCXBDSA-N
XLogP1.25
TPSA36.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(2S)-1-[[(2R)-oxiran-2-yl]methyl]piperidin-2-yl]-piperidin-1-ylmethanone 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

[(2R)-1-[[(2S)-oxiran-2-yl]methyl]piperidin-2-yl]-piperidin-1-ylmethanone
CID 124554731
morpholin-4-yl-[(2S)-1-[[(2R)-oxiran-2-yl]methyl]pyrrolidin-2-yl]methanone
CID 97181537
(2R)-N,N-diethyl-1-[[(2S)-oxiran-2-yl]methyl]piperidine-2-carboxamide
CID 124845733
1-(oxan-2-ylmethyl)piperidine-2-carboxylic acid
CID 43441213
(1-ethylpiperidin-2-yl)-morpholin-4-ylmethanone
CID 142202703
[1-[4-[2-(morpholine-4-carbonyl)piperidin-1-yl]but-2-ynyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 166220087
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
N-(2-methylpropyl)-2-[(2R)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 94778620
(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
azepan-1-yl-(1-methylpyrrolidin-2-yl)methanone
CID 110856335
1-[1-(cyclohexylmethyl)piperidin-2-yl]ethanone
CID 63844288

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[(2R)-oxiran-2-yl]methyl]piperidin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(2S)-1-[[(2R)-oxiran-2-yl]methyl]piperidin-2-yl]-piperidin-1-ylmethanone (CID 97181530) is [(2S)-1-[[(2R)-oxiran-2-yl]methyl]piperidin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(2S)-1-[[(2R)-oxiran-2-yl]methyl]piperidin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(2S)-1-[[(2R)-oxiran-2-yl]methyl]piperidin-2-yl]-piperidin-1-ylmethanone is O=C([C@@H]1CCCCN1C[C@@H]1CO1)N1CCCCC1.
What is the InChIKey of [(2S)-1-[[(2R)-oxiran-2-yl]methyl]piperidin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is WVWZEJFUJALBRB-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-14(15-7-3-1-4-8-15)13-6-2-5-9-16(13)10-12-11-18-12/h12-13H,1-11H2/t12-,13+/m1/s1.
What are the key properties of [(2S)-1-[[(2R)-oxiran-2-yl]methyl]piperidin-2-yl]-piperidin-1-ylmethanone?
[(2S)-1-[[(2R)-oxiran-2-yl]methyl]piperidin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 252.36 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[(2R)-oxiran-2-yl]methyl]piperidin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 97181530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).