methyl 5-methyl-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]thiophene-2-carboxylate

C16H21N3O3S — CID 71971727

IUPACmethyl 5-methyl-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(CN2CCC(c3noc(C)n3)CC2)c(C)s1
InChIInChI=1S/C16H21N3O3S/c1-10-13(8-14(23-10)16(20)21-3)9-19-6-4-12(5-7-19)15-17-11(2)22-18-15/h8,12H,4-7,9H2,1-3H3
InChIKeyNIMQDFHKJYEEAF-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.91
Rot. Bonds4

About methyl 5-methyl-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]thiophene-2-carboxylate

methyl 5-methyl-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]thiophene-2-carboxylate (PubChem CID 71971727) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is methyl 5-methyl-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]thiophene-2-carboxylate
PubChem CID71971727
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Namemethyl 5-methyl-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(CN2CCC(c3noc(C)n3)CC2)c(C)s1
InChIInChI=1S/C16H21N3O3S/c1-10-13(8-14(23-10)16(20)21-3)9-19-6-4-12(5-7-19)15-17-11(2)22-18-15/h8,12H,4-7,9H2,1-3H3
InChIKeyNIMQDFHKJYEEAF-UHFFFAOYSA-N
XLogP2.91
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 5-methyl-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]thiophene-2-carboxylate with MolForge

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Related Compounds

5-methyl-4-[[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 146135053
4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-5-methylthiophene-2-carboxylic acid
CID 82691707
5-methyl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]thiophene-2-carboxylic acid
CID 103498227
5-methyl-4-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 136550700
methyl 4-[[2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanoylamino]methyl]benzoate
CID 60614224
methyl 5-methyl-4-(sulfanylmethyl)thiophene-2-carboxylate
CID 165473233
4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 102968696
5-methyl-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]thiophene-2-carboxylic acid
CID 80727591
5-methyl-4-(piperidin-1-ylmethyl)thiophene-2-carbohydrazide
CID 80733368
4-[(3,5-dioxopiperazin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid
CID 80728234
5-methyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,2,4-oxadiazole
CID 95817184
methyl 5-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-2-methylfuran-3-carboxylate
CID 9336689

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-methyl-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]thiophene-2-carboxylate (CID 71971727) is methyl 5-methyl-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-methyl-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-methyl-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]thiophene-2-carboxylate is COC(=O)c1cc(CN2CCC(c3noc(C)n3)CC2)c(C)s1.
What is the InChIKey of methyl 5-methyl-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]thiophene-2-carboxylate?
The InChIKey is NIMQDFHKJYEEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-10-13(8-14(23-10)16(20)21-3)9-19-6-4-12(5-7-19)15-17-11(2)22-18-15/h8,12H,4-7,9H2,1-3H3.
What are the key properties of methyl 5-methyl-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]thiophene-2-carboxylate?
methyl 5-methyl-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]thiophene-2-carboxylate has a molecular weight of 335.43 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]thiophene-2-carboxylate is sourced from PubChem (CID 71971727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).