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

C13H21N3O2S — CID 134072185

IUPAC4-(dimethylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid
SMILESCc1nc(CN2CCC(N(C)C)CC2C(=O)O)cs1
InChIInChI=1S/C13H21N3O2S/c1-9-14-10(8-19-9)7-16-5-4-11(15(2)3)6-12(16)13(17)18/h8,11-12H,4-7H2,1-3H3,(H,17,18)
InChIKeyAZUBOKAXJBOFEO-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.43
Rot. Bonds4

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

4-(dimethylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid (PubChem CID 134072185) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-(dimethylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(dimethylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid
PubChem CID134072185
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name4-(dimethylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid
SMILESCc1nc(CN2CCC(N(C)C)CC2C(=O)O)cs1
InChIInChI=1S/C13H21N3O2S/c1-9-14-10(8-19-9)7-16-5-4-11(15(2)3)6-12(16)13(17)18/h8,11-12H,4-7H2,1-3H3,(H,17,18)
InChIKeyAZUBOKAXJBOFEO-UHFFFAOYSA-N
XLogP1.43
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-(dimethylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid (CID 134072185) is 4-(dimethylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-(dimethylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-(dimethylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid is Cc1nc(CN2CCC(N(C)C)CC2C(=O)O)cs1.
What is the InChIKey of 4-(dimethylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid?
The InChIKey is AZUBOKAXJBOFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-9-14-10(8-19-9)7-16-5-4-11(15(2)3)6-12(16)13(17)18/h8,11-12H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 4-(dimethylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid?
4-(dimethylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid has a molecular weight of 283.40 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 134072185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).