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

C14H22N2O2S — CID 63127063

IUPAC1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(Cc2cnc(C)s2)CC1
InChIInChI=1S/C14H22N2O2S/c1-3-4-14(13(17)18)5-7-16(8-6-14)10-12-9-15-11(2)19-12/h9H,3-8,10H2,1-2H3,(H,17,18)
InChIKeyVXCSNOZZXJGZKA-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.92
Rot. Bonds5

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

1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylpiperidine-4-carboxylic acid (PubChem CID 63127063) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylpiperidine-4-carboxylic acid
PubChem CID63127063
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(Cc2cnc(C)s2)CC1
InChIInChI=1S/C14H22N2O2S/c1-3-4-14(13(17)18)5-7-16(8-6-14)10-12-9-15-11(2)19-12/h9H,3-8,10H2,1-2H3,(H,17,18)
InChIKeyVXCSNOZZXJGZKA-UHFFFAOYSA-N
XLogP2.92
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylpiperidine-4-carboxylic acid (CID 63127063) is 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(Cc2cnc(C)s2)CC1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylpiperidine-4-carboxylic acid?
The InChIKey is VXCSNOZZXJGZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-4-14(13(17)18)5-7-16(8-6-14)10-12-9-15-11(2)19-12/h9H,3-8,10H2,1-2H3,(H,17,18).
What are the key properties of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylpiperidine-4-carboxylic acid?
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylpiperidine-4-carboxylic acid has a molecular weight of 282.41 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63127063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).