4-phenyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylic acid

C16H18N2O2S — CID 115979095

IUPAC4-phenyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CCN(Cc2cncs2)CC1
InChIInChI=1S/C16H18N2O2S/c19-15(20)16(13-4-2-1-3-5-13)6-8-18(9-7-16)11-14-10-17-12-21-14/h1-5,10,12H,6-9,11H2,(H,19,20)
InChIKeyZAEOIHKKJQCVLF-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.76
Rot. Bonds4

About 4-phenyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylic acid

4-phenyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylic acid (PubChem CID 115979095) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-phenyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-phenyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylic acid
PubChem CID115979095
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name4-phenyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CCN(Cc2cncs2)CC1
InChIInChI=1S/C16H18N2O2S/c19-15(20)16(13-4-2-1-3-5-13)6-8-18(9-7-16)11-14-10-17-12-21-14/h1-5,10,12H,6-9,11H2,(H,19,20)
InChIKeyZAEOIHKKJQCVLF-UHFFFAOYSA-N
XLogP2.76
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

{4-Benzyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl}methanol
CID 16192306
Ethyl 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(3-phenylpropyl)-4-piperidinecarboxylate
CID 16187344
Ethyl 1-{[2-(dimethylamino)-1,3-thiazol-5-yl]methyl}-4-(2-phenylethyl)-4-piperidinecarboxylate
CID 16189032
Ethyl 4-(3-fluorobenzyl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-piperidinecarboxylate
CID 16190623
[1-[(2-Methyl-1,3-thiazol-5-yl)methyl]-4-(2-phenylethyl)piperidin-4-yl]methanol
CID 16188709
Ethyl 4-(3-phenylpropyl)-1-(1,3-thiazol-5-ylcarbonyl)-4-piperidinecarboxylate
CID 16188955
4-Phenyl-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidine-4-carboxylic acid
CID 72130298
Ethyl 3-(2-methylbenzyl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-piperidinecarboxylate
CID 45182707
[1-[(2-Methyl-1,3-thiazol-5-yl)methyl]-4-(3-phenylpropyl)-4-piperidinyl]methanol
CID 42244523
(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid
CID 164632223
Ethyl 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(2-phenylethyl)-4-piperidinecarboxylate
CID 25452708
Chlorophenyl-thiazol-5-ylacetic acid
CID 129826350

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-phenyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylic acid (CID 115979095) is 4-phenyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-phenyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-phenyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylic acid is O=C(O)C1(c2ccccc2)CCN(Cc2cncs2)CC1.
What is the InChIKey of 4-phenyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylic acid?
The InChIKey is ZAEOIHKKJQCVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-15(20)16(13-4-2-1-3-5-13)6-8-18(9-7-16)11-14-10-17-12-21-14/h1-5,10,12H,6-9,11H2,(H,19,20).
What are the key properties of 4-phenyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylic acid?
4-phenyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylic acid has a molecular weight of 302.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 115979095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).