2-methyl-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid

C14H17N3O3S — CID 104598750

IUPAC2-methyl-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C14H17N3O3S/c1-14(13(18)19)6-2-3-7-17(14)9-11-15-16-12(20-11)10-5-4-8-21-10/h4-5,8H,2-3,6-7,9H2,1H3,(H,18,19)
InChIKeyBKZKGBGPTPJXDX-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.63
Rot. Bonds4

About 2-methyl-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid

2-methyl-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid (PubChem CID 104598750) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-methyl-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid
PubChem CID104598750
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-methyl-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C14H17N3O3S/c1-14(13(18)19)6-2-3-7-17(14)9-11-15-16-12(20-11)10-5-4-8-21-10/h4-5,8H,2-3,6-7,9H2,1H3,(H,18,19)
InChIKeyBKZKGBGPTPJXDX-UHFFFAOYSA-N
XLogP2.63
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid (CID 104598750) is 2-methyl-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1Cc1nnc(-c2cccs2)o1.
What is the InChIKey of 2-methyl-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid?
The InChIKey is BKZKGBGPTPJXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-14(13(18)19)6-2-3-7-17(14)9-11-15-16-12(20-11)10-5-4-8-21-10/h4-5,8H,2-3,6-7,9H2,1H3,(H,18,19).
What are the key properties of 2-methyl-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid?
2-methyl-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid has a molecular weight of 307.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 104598750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).