methyl 5-(4-cyclopropylidenepiperidin-1-yl)-5-oxopentanoate

C14H21NO3 — CID 121187104

IUPACmethyl 5-(4-cyclopropylidenepiperidin-1-yl)-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N1CCC(=C2CC2)CC1
InChIInChI=1S/C14H21NO3/c1-18-14(17)4-2-3-13(16)15-9-7-12(8-10-15)11-5-6-11/h2-10H2,1H3
InChIKeyYRXAVNUPXPCGRE-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.04
Rot. Bonds4

About methyl 5-(4-cyclopropylidenepiperidin-1-yl)-5-oxopentanoate

methyl 5-(4-cyclopropylidenepiperidin-1-yl)-5-oxopentanoate (PubChem CID 121187104) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 5-(4-cyclopropylidenepiperidin-1-yl)-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-(4-cyclopropylidenepiperidin-1-yl)-5-oxopentanoate
PubChem CID121187104
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 5-(4-cyclopropylidenepiperidin-1-yl)-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N1CCC(=C2CC2)CC1
InChIInChI=1S/C14H21NO3/c1-18-14(17)4-2-3-13(16)15-9-7-12(8-10-15)11-5-6-11/h2-10H2,1H3
InChIKeyYRXAVNUPXPCGRE-UHFFFAOYSA-N
XLogP2.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 5-(4-cyclopropylidenepiperidin-1-yl)-5-oxopentanoate 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 6-[16-(6-methoxy-6-oxohexanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-6-oxohexanoate
CID 4584644
methyl 5-(1,3-dihydroisoindol-2-yl)-5-oxopentanoate
CID 46113477
1-(4-cyclopropylidenepiperidin-1-yl)-5-phenylpentane-1,5-dione
CID 121186913
methyl 5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-5-oxopentanoate
CID 75500939
dimethyl pentanedioate;hydrochloride
CID 175168861
methyl 5-[4-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]-5-oxopentanoate
CID 25450495
methyl 5-[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]-5-oxopentanoate
CID 97308388
methyl 3-[4-(4-chlorobutanoyl)piperazin-1-yl]propanoate
CID 115534236
5-oxo-5-(4-oxopiperidin-1-yl)pentanoic acid
CID 2760467
methyl 4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-4-oxobutanoate
CID 110817886
methyl 4-[4-(3-methylbutanoyl)piperazin-1-yl]-4-oxobutanoate
CID 110817694
3-cyclopentyl-1-(4-cyclopropylidenepiperidin-1-yl)propan-1-one
CID 121187051

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-cyclopropylidenepiperidin-1-yl)-5-oxopentanoate?
The IUPAC name of methyl 5-(4-cyclopropylidenepiperidin-1-yl)-5-oxopentanoate (CID 121187104) is methyl 5-(4-cyclopropylidenepiperidin-1-yl)-5-oxopentanoate.
What is the SMILES notation for methyl 5-(4-cyclopropylidenepiperidin-1-yl)-5-oxopentanoate?
The canonical SMILES for methyl 5-(4-cyclopropylidenepiperidin-1-yl)-5-oxopentanoate is COC(=O)CCCC(=O)N1CCC(=C2CC2)CC1.
What is the InChIKey of methyl 5-(4-cyclopropylidenepiperidin-1-yl)-5-oxopentanoate?
The InChIKey is YRXAVNUPXPCGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-18-14(17)4-2-3-13(16)15-9-7-12(8-10-15)11-5-6-11/h2-10H2,1H3.
What are the key properties of methyl 5-(4-cyclopropylidenepiperidin-1-yl)-5-oxopentanoate?
methyl 5-(4-cyclopropylidenepiperidin-1-yl)-5-oxopentanoate has a molecular weight of 251.33 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-cyclopropylidenepiperidin-1-yl)-5-oxopentanoate is sourced from PubChem (CID 121187104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).