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

C12H18N2O2S — CID 63124495

IUPAC4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid
SMILESCc1ncc(CN2CCC(C)(C(=O)O)CC2)s1
InChIInChI=1S/C12H18N2O2S/c1-9-13-7-10(17-9)8-14-5-3-12(2,4-6-14)11(15)16/h7H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyXZJNEUWBPCODSJ-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.14
Rot. Bonds3

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

4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 63124495) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid
PubChem CID63124495
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid
SMILESCc1ncc(CN2CCC(C)(C(=O)O)CC2)s1
InChIInChI=1S/C12H18N2O2S/c1-9-13-7-10(17-9)8-14-5-3-12(2,4-6-14)11(15)16/h7H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyXZJNEUWBPCODSJ-UHFFFAOYSA-N
XLogP2.14
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid (CID 63124495) is 4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid is Cc1ncc(CN2CCC(C)(C(=O)O)CC2)s1.
What is the InChIKey of 4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is XZJNEUWBPCODSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-13-7-10(17-9)8-14-5-3-12(2,4-6-14)11(15)16/h7H,3-6,8H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid?
4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 254.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 63124495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).