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

C15H21N3O5S — CID 122011316

IUPAC1-[2-(4-ethoxycarbonyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCCOC(=O)c1csc(CCNC(=O)N2CCCC(C(=O)O)C2)n1
InChIInChI=1S/C15H21N3O5S/c1-2-23-14(21)11-9-24-12(17-11)5-6-16-15(22)18-7-3-4-10(8-18)13(19)20/h9-10H,2-8H2,1H3,(H,16,22)(H,19,20)
InChIKeyWZRLEYUXKIHAPD-UHFFFAOYSA-N
MW355.42 g/mol
LogP1.37
Rot. Bonds6

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

1-[2-(4-ethoxycarbonyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 122011316) has the molecular formula C15H21N3O5S and a molecular weight of 355.42 g/mol. Its IUPAC name is 1-[2-(4-ethoxycarbonyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-ethoxycarbonyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID122011316
Molecular FormulaC15H21N3O5S
Molecular Weight355.42 g/mol
Exact Mass355.12
IUPAC Name1-[2-(4-ethoxycarbonyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCCOC(=O)c1csc(CCNC(=O)N2CCCC(C(=O)O)C2)n1
InChIInChI=1S/C15H21N3O5S/c1-2-23-14(21)11-9-24-12(17-11)5-6-16-15(22)18-7-3-4-10(8-18)13(19)20/h9-10H,2-8H2,1H3,(H,16,22)(H,19,20)
InChIKeyWZRLEYUXKIHAPD-UHFFFAOYSA-N
XLogP1.37
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81125511
1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122004458
(3R)-1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120311
2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 115560786
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122001403
(3R)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 106420517
ethyl 2-[2-[[1-(2-piperidin-1-ylethyl)triazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylate
CID 26411483
1-[2-(3-methylthiophen-2-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122008877
1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119136733
2-[2-(1,4-oxazepane-4-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374918
2-[2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 106315688
1-[(3-ethoxy-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031772

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxycarbonyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-ethoxycarbonyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid (CID 122011316) is 1-[2-(4-ethoxycarbonyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-ethoxycarbonyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-ethoxycarbonyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid is CCOC(=O)c1csc(CCNC(=O)N2CCCC(C(=O)O)C2)n1.
What is the InChIKey of 1-[2-(4-ethoxycarbonyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is WZRLEYUXKIHAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5S/c1-2-23-14(21)11-9-24-12(17-11)5-6-16-15(22)18-7-3-4-10(8-18)13(19)20/h9-10H,2-8H2,1H3,(H,16,22)(H,19,20).
What are the key properties of 1-[2-(4-ethoxycarbonyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
1-[2-(4-ethoxycarbonyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 355.42 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxycarbonyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122011316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).