methyl 5-[3-(2-methyl-6-oxopiperidin-1-yl)propyl]thiophene-2-carboxylate

C15H21NO3S — CID 142944235

IUPACmethyl 5-[3-(2-methyl-6-oxopiperidin-1-yl)propyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(CCCN2C(=O)CCCC2C)s1
InChIInChI=1S/C15H21NO3S/c1-11-5-3-7-14(17)16(11)10-4-6-12-8-9-13(20-12)15(18)19-2/h8-9,11H,3-7,10H2,1-2H3
InChIKeyIFADZSDQFGCVHC-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.87
Rot. Bonds5

About methyl 5-[3-(2-methyl-6-oxopiperidin-1-yl)propyl]thiophene-2-carboxylate

methyl 5-[3-(2-methyl-6-oxopiperidin-1-yl)propyl]thiophene-2-carboxylate (PubChem CID 142944235) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is methyl 5-[3-(2-methyl-6-oxopiperidin-1-yl)propyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[3-(2-methyl-6-oxopiperidin-1-yl)propyl]thiophene-2-carboxylate
PubChem CID142944235
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Namemethyl 5-[3-(2-methyl-6-oxopiperidin-1-yl)propyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(CCCN2C(=O)CCCC2C)s1
InChIInChI=1S/C15H21NO3S/c1-11-5-3-7-14(17)16(11)10-4-6-12-8-9-13(20-12)15(18)19-2/h8-9,11H,3-7,10H2,1-2H3
InChIKeyIFADZSDQFGCVHC-UHFFFAOYSA-N
XLogP2.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-[3-(2-methyl-6-oxopiperidin-1-yl)propyl]thiophene-2-carboxylate 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 5-[3-[(2R)-2-formyl-5-oxopyrrolidin-1-yl]propyl]thiophene-2-carboxylate
CID 87714474
methyl 5-[3-(3,3-difluoro-5-formyl-2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxylate
CID 118160376
methyl 5-[3-[(2R)-2-[(E)-3-hydroxy-4-methylnon-1-en-6-ynyl]-5-oxopyrrolidin-1-yl]propyl]thiophene-2-carboxylate
CID 118896774
methyl 5-[3-[(2R)-2-[(3S,4S)-3-hydroxy-4-methylnon-1-en-6-ynyl]-5-oxopyrrolidin-1-yl]propyl]thiophene-2-carboxylate
CID 118896760
methyl 5-[3-[(2R)-2-[(E,3S,4R)-3-hydroxy-4-methyloct-1-en-6-ynyl]-5-oxopyrrolidin-1-yl]propyl]thiophene-2-carboxylate
CID 86296571
methyl 5-[3-[2-[(E)-4-(3-fluorophenyl)-3-oxobut-1-enyl]-5-oxopyrrolidin-1-yl]propyl]thiophene-2-carboxylate
CID 69271540
methyl 5-[3-[(2R)-2-[(E,4S,5S)-4-hydroxy-5-methyldec-2-en-7-yn-2-yl]-5-oxopyrrolidin-1-yl]propyl]thiophene-2-carboxylate
CID 155027443
methyl 5-[3-[(2S)-2-[4-(3-fluorophenyl)-3-hydroxybutyl]-5-oxopyrrolidin-1-yl]propyl]thiophene-2-carboxylate
CID 69268391
methyl 5-(2-hydroxyethyl)thiophene-2-carboxylate
CID 10845237
methyl 5-[3-[(2R)-2-[(E)-3-hydroxy-4-methyl-7-phenylhept-1-enyl]-5-oxopyrrolidin-1-yl]propyl]thiophene-2-carboxylate
CID 118691788
methyl 5-[3-[(2R)-2-[(3S)-3-hydroxy-4-methyl-7-phenylhept-1-en-6-ynyl]-5-oxopyrrolidin-1-yl]propyl]thiophene-2-carboxylate
CID 118896925
methyl 5-[3-[(2R)-2-[(E,3S,4R)-3-hydroxy-4-methyl-7-phenylhept-1-en-6-ynyl]-5-oxopyrrolidin-1-yl]propyl]thiophene-2-carboxylate
CID 86298371

Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-(2-methyl-6-oxopiperidin-1-yl)propyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[3-(2-methyl-6-oxopiperidin-1-yl)propyl]thiophene-2-carboxylate (CID 142944235) is methyl 5-[3-(2-methyl-6-oxopiperidin-1-yl)propyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[3-(2-methyl-6-oxopiperidin-1-yl)propyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[3-(2-methyl-6-oxopiperidin-1-yl)propyl]thiophene-2-carboxylate is COC(=O)c1ccc(CCCN2C(=O)CCCC2C)s1.
What is the InChIKey of methyl 5-[3-(2-methyl-6-oxopiperidin-1-yl)propyl]thiophene-2-carboxylate?
The InChIKey is IFADZSDQFGCVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-11-5-3-7-14(17)16(11)10-4-6-12-8-9-13(20-12)15(18)19-2/h8-9,11H,3-7,10H2,1-2H3.
What are the key properties of methyl 5-[3-(2-methyl-6-oxopiperidin-1-yl)propyl]thiophene-2-carboxylate?
methyl 5-[3-(2-methyl-6-oxopiperidin-1-yl)propyl]thiophene-2-carboxylate has a molecular weight of 295.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-(2-methyl-6-oxopiperidin-1-yl)propyl]thiophene-2-carboxylate is sourced from PubChem (CID 142944235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).