5-methyl-1-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid

C19H23N3O3S — CID 122122709

IUPAC5-methyl-1-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NC(C)c2nc(-c3ccccc3)cs2)C1
InChIInChI=1S/C19H23N3O3S/c1-12-8-15(18(23)24)10-22(9-12)19(25)20-13(2)17-21-16(11-26-17)14-6-4-3-5-7-14/h3-7,11-13,15H,8-10H2,1-2H3,(H,20,25)(H,23,24)
InChIKeyJDVHQEYEAGBBCD-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.62
Rot. Bonds4

About 5-methyl-1-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid

5-methyl-1-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 122122709) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 5-methyl-1-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID122122709
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name5-methyl-1-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NC(C)c2nc(-c3ccccc3)cs2)C1
InChIInChI=1S/C19H23N3O3S/c1-12-8-15(18(23)24)10-22(9-12)19(25)20-13(2)17-21-16(11-26-17)14-6-4-3-5-7-14/h3-7,11-13,15H,8-10H2,1-2H3,(H,20,25)(H,23,24)
InChIKeyJDVHQEYEAGBBCD-UHFFFAOYSA-N
XLogP3.62
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119184553
4-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673541
1-[1-(2-bromophenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121905
4-[1-(4-phenyl-1,3-thiazol-2-yl)ethylamino]cyclohexane-1-carboxylic acid
CID 122031112
2-(cyclopropylmethylamino)-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 119778952
1,1-diethyl-3-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 95760758
1-[1-(4-ethylphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121901
5-methyl-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 122122525
2-[1-[(3-methylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374459
3-amino-2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 120500624
5-methyl-1-(3-methylbutan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122121872
5-methyl-1-[(2S)-2-phenylpropanoyl]piperidine-3-carboxylic acid
CID 122117477

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid (CID 122122709) is 5-methyl-1-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)NC(C)c2nc(-c3ccccc3)cs2)C1.
What is the InChIKey of 5-methyl-1-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is JDVHQEYEAGBBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-12-8-15(18(23)24)10-22(9-12)19(25)20-13(2)17-21-16(11-26-17)14-6-4-3-5-7-14/h3-7,11-13,15H,8-10H2,1-2H3,(H,20,25)(H,23,24).
What are the key properties of 5-methyl-1-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
5-methyl-1-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 373.48 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122122709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).