1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid

C19H22N2O3S — CID 119136784

IUPAC1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid
SMILESCCc1nc(CC(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)cs1
InChIInChI=1S/C19H22N2O3S/c1-2-16-20-15(13-25-16)12-17(22)21-10-8-19(9-11-21,18(23)24)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,23,24)
InChIKeyVQBMBOXDOUIGCP-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.89
Rot. Bonds5

About 1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid

1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid (PubChem CID 119136784) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid
PubChem CID119136784
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid
SMILESCCc1nc(CC(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)cs1
InChIInChI=1S/C19H22N2O3S/c1-2-16-20-15(13-25-16)12-17(22)21-10-8-19(9-11-21,18(23)24)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,23,24)
InChIKeyVQBMBOXDOUIGCP-UHFFFAOYSA-N
XLogP2.89
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257378
2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 94600648
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone
CID 111456792
1-butanoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240994
1-(1,4-diazepan-1-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone;dihydrochloride
CID 119415665
(3R)-3-methyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 99815343
1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119136733
2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone
CID 112500907
1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 22240695
(3aS,7aS)-2-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120626816
4-phenyl-1-[3-(1,3-thiazol-4-yl)propanoyl]piperidine-4-carboxylic acid
CID 84588728
(3R,4R)-4-cyclopropyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 120978523

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid (CID 119136784) is 1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid is CCc1nc(CC(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)cs1.
What is the InChIKey of 1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is VQBMBOXDOUIGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-2-16-20-15(13-25-16)12-17(22)21-10-8-19(9-11-21,18(23)24)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,23,24).
What are the key properties of 1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid?
1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 358.46 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 119136784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).