3-[1-(2-propyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid

C15H22N2O3S — CID 75498124

IUPAC3-[1-(2-propyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid
SMILESCCCc1ncc(C(=O)N2CCCC(CCC(=O)O)C2)s1
InChIInChI=1S/C15H22N2O3S/c1-2-4-13-16-9-12(21-13)15(20)17-8-3-5-11(10-17)6-7-14(18)19/h9,11H,2-8,10H2,1H3,(H,18,19)
InChIKeyCLBAJWTWLNNNSA-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.81
Rot. Bonds6

About 3-[1-(2-propyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid

3-[1-(2-propyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid (PubChem CID 75498124) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-[1-(2-propyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-propyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid
PubChem CID75498124
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name3-[1-(2-propyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid
SMILESCCCc1ncc(C(=O)N2CCCC(CCC(=O)O)C2)s1
InChIInChI=1S/C15H22N2O3S/c1-2-4-13-16-9-12(21-13)15(20)17-8-3-5-11(10-17)6-7-14(18)19/h9,11H,2-8,10H2,1H3,(H,18,19)
InChIKeyCLBAJWTWLNNNSA-UHFFFAOYSA-N
XLogP2.81
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-propyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(2-propyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid (CID 75498124) is 3-[1-(2-propyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-propyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-propyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid is CCCc1ncc(C(=O)N2CCCC(CCC(=O)O)C2)s1.
What is the InChIKey of 3-[1-(2-propyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid?
The InChIKey is CLBAJWTWLNNNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-2-4-13-16-9-12(21-13)15(20)17-8-3-5-11(10-17)6-7-14(18)19/h9,11H,2-8,10H2,1H3,(H,18,19).
What are the key properties of 3-[1-(2-propyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid?
3-[1-(2-propyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid has a molecular weight of 310.42 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-propyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 75498124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).