1-[[5-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid

C15H21N3O5S — CID 122103250

IUPAC1-[[5-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCCOC(=O)Cc1cnc(NC(=O)N2CC(C)CC(C(=O)O)C2)s1
InChIInChI=1S/C15H21N3O5S/c1-3-23-12(19)5-11-6-16-14(24-11)17-15(22)18-7-9(2)4-10(8-18)13(20)21/h6,9-10H,3-5,7-8H2,1-2H3,(H,20,21)(H,16,17,22)
InChIKeyBRFVCDQSFIXCDK-UHFFFAOYSA-N
MW355.42 g/mol
LogP1.82
Rot. Bonds5

About 1-[[5-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[[5-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122103250) has the molecular formula C15H21N3O5S and a molecular weight of 355.42 g/mol. Its IUPAC name is 1-[[5-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122103250
Molecular FormulaC15H21N3O5S
Molecular Weight355.42 g/mol
Exact Mass355.12
IUPAC Name1-[[5-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCCOC(=O)Cc1cnc(NC(=O)N2CC(C)CC(C(=O)O)C2)s1
InChIInChI=1S/C15H21N3O5S/c1-3-23-12(19)5-11-6-16-14(24-11)17-15(22)18-7-9(2)4-10(8-18)13(20)21/h6,9-10H,3-5,7-8H2,1-2H3,(H,20,21)(H,16,17,22)
InChIKeyBRFVCDQSFIXCDK-UHFFFAOYSA-N
XLogP1.82
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5-methoxy-1,3-thiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103065
1-[(5-propyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122088976
1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102928
1-[(2,6-diethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101857
1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102165
1-[(2,5-dimethyl-4-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 166238376
5-methyl-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122101924
(3S,4S)-1-[(5-ethyl-1,3-thiazol-2-yl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122085813
(3R)-1-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 129468818
1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102685
1-[(6-carbamoyl-3-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102587
1-[(1-butan-2-yl-5-methylpyrazol-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102744

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[[5-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122103250) is 1-[[5-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[5-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[[5-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid is CCOC(=O)Cc1cnc(NC(=O)N2CC(C)CC(C(=O)O)C2)s1.
What is the InChIKey of 1-[[5-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is BRFVCDQSFIXCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5S/c1-3-23-12(19)5-11-6-16-14(24-11)17-15(22)18-7-9(2)4-10(8-18)13(20)21/h6,9-10H,3-5,7-8H2,1-2H3,(H,20,21)(H,16,17,22).
What are the key properties of 1-[[5-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[[5-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 355.42 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122103250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).