1-(4-methyl-1,3-thiazole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid

C17H18N2O3S — CID 119136798

IUPAC1-(4-methyl-1,3-thiazole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid
SMILESCc1ncsc1C(=O)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C17H18N2O3S/c1-12-14(23-11-18-12)15(20)19-9-7-17(8-10-19,16(21)22)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3,(H,21,22)
InChIKeyHOLKOFFQFFQONI-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.71
Rot. Bonds3

About 1-(4-methyl-1,3-thiazole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid

1-(4-methyl-1,3-thiazole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid (PubChem CID 119136798) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid
PubChem CID119136798
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name1-(4-methyl-1,3-thiazole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid
SMILESCc1ncsc1C(=O)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C17H18N2O3S/c1-12-14(23-11-18-12)15(20)19-9-7-17(8-10-19,16(21)22)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3,(H,21,22)
InChIKeyHOLKOFFQFFQONI-UHFFFAOYSA-N
XLogP2.71
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-methyl-1,3-thiazol-5-yl)methanone
CID 47281792
(3S)-8-(4-methyl-1,3-thiazole-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97203748
(3-hydroxy-3-methylpyrrolidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 103727188
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
(4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854807
1-(1,3-dimethylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 75513234
1-benzyl-3-ethyl-8-(4-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166612461
1-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 45338261
[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95601881
4-[3-(furan-2-yl)pyrazol-1-yl]-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid
CID 56897994
1-(3-methyl-1-phenylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 119168408
2-[1'-(4-methyl-1,3-thiazole-5-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetic acid
CID 134077279

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-methyl-1,3-thiazole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid (CID 119136798) is 1-(4-methyl-1,3-thiazole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-methyl-1,3-thiazole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-methyl-1,3-thiazole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid is Cc1ncsc1C(=O)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 1-(4-methyl-1,3-thiazole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is HOLKOFFQFFQONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-12-14(23-11-18-12)15(20)19-9-7-17(8-10-19,16(21)22)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3,(H,21,22).
What are the key properties of 1-(4-methyl-1,3-thiazole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
1-(4-methyl-1,3-thiazole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 330.41 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 119136798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).