methyl 3-oxo-2-piperidin-3-ylbutanoate

C10H17NO3 — CID 67652399

IUPACmethyl 3-oxo-2-piperidin-3-ylbutanoate
SMILESCOC(=O)C(C(C)=O)C1CCCNC1
InChIInChI=1S/C10H17NO3/c1-7(12)9(10(13)14-2)8-4-3-5-11-6-8/h8-9,11H,3-6H2,1-2H3
InChIKeyONTKSXPEUBHICT-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.36
Rot. Bonds3

About methyl 3-oxo-2-piperidin-3-ylbutanoate

methyl 3-oxo-2-piperidin-3-ylbutanoate (PubChem CID 67652399) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl 3-oxo-2-piperidin-3-ylbutanoate.

Molecular Properties

Compound Namemethyl 3-oxo-2-piperidin-3-ylbutanoate
PubChem CID67652399
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl 3-oxo-2-piperidin-3-ylbutanoate
SMILESCOC(=O)C(C(C)=O)C1CCCNC1
InChIInChI=1S/C10H17NO3/c1-7(12)9(10(13)14-2)8-4-3-5-11-6-8/h8-9,11H,3-6H2,1-2H3
InChIKeyONTKSXPEUBHICT-UHFFFAOYSA-N
XLogP0.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze methyl 3-oxo-2-piperidin-3-ylbutanoate 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

methyl 3-methyl-2-piperidin-3-ylbutanoate
CID 83880549
1-amino-1-piperidin-3-ylpropan-2-one
CID 129030594
cyclopropyl-[(3R)-piperidin-3-yl]methanamine
CID 70133311
dimethyl 2-cyclohexylpropanedioate
CID 2793740
(2R)-2-amino-N-(1-piperidin-3-ylethyl)propanamide
CID 131038230
tert-butyl (2R)-2-amino-2-[(3R)-piperidin-3-yl]acetate
CID 86307985
2-amino-N-(1-piperidin-3-ylethyl)propanamide
CID 131134166
1-(1-piperidin-3-ylethyl)-3-propan-2-ylurea
CID 43523388
2-methoxy-N-[(3S)-piperidin-3-yl]propanamide
CID 103866505
tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate
CID 133063896
methyl (2S)-2-(piperidin-3-ylmethylamino)propanoate
CID 80554034
methyl (2S)-2-(azepan-4-ylamino)propanoate
CID 103981308

Frequently Asked Questions

What is the IUPAC name of methyl 3-oxo-2-piperidin-3-ylbutanoate?
The IUPAC name of methyl 3-oxo-2-piperidin-3-ylbutanoate (CID 67652399) is methyl 3-oxo-2-piperidin-3-ylbutanoate.
What is the SMILES notation for methyl 3-oxo-2-piperidin-3-ylbutanoate?
The canonical SMILES for methyl 3-oxo-2-piperidin-3-ylbutanoate is COC(=O)C(C(C)=O)C1CCCNC1.
What is the InChIKey of methyl 3-oxo-2-piperidin-3-ylbutanoate?
The InChIKey is ONTKSXPEUBHICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(12)9(10(13)14-2)8-4-3-5-11-6-8/h8-9,11H,3-6H2,1-2H3.
What are the key properties of methyl 3-oxo-2-piperidin-3-ylbutanoate?
methyl 3-oxo-2-piperidin-3-ylbutanoate has a molecular weight of 199.25 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxo-2-piperidin-3-ylbutanoate is sourced from PubChem (CID 67652399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).