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

C12H18N2O2S — CID 67084683

IUPAC4-[3-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CCCc2nccs2)CC1
InChIInChI=1S/C12H18N2O2S/c15-12(16)14-7-4-10(5-8-14)2-1-3-11-13-6-9-17-11/h6,9-10H,1-5,7-8H2,(H,15,16)
InChIKeyCUPAVKMQGRRWIE-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.86
Rot. Bonds4

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

4-[3-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxylic acid (PubChem CID 67084683) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-[3-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxylic acid
PubChem CID67084683
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name4-[3-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CCCc2nccs2)CC1
InChIInChI=1S/C12H18N2O2S/c15-12(16)14-7-4-10(5-8-14)2-1-3-11-13-6-9-17-11/h6,9-10H,1-5,7-8H2,(H,15,16)
InChIKeyCUPAVKMQGRRWIE-UHFFFAOYSA-N
XLogP2.86
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[3-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxylic acid (CID 67084683) is 4-[3-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[3-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[3-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(CCCc2nccs2)CC1.
What is the InChIKey of 4-[3-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxylic acid?
The InChIKey is CUPAVKMQGRRWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c15-12(16)14-7-4-10(5-8-14)2-1-3-11-13-6-9-17-11/h6,9-10H,1-5,7-8H2,(H,15,16).
What are the key properties of 4-[3-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxylic acid?
4-[3-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxylic acid has a molecular weight of 254.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 67084683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).