4-ethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid

C13H19N3O4S — CID 106382767

IUPAC4-ethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NCc2csc(=O)[nH]2)CC1
InChIInChI=1S/C13H19N3O4S/c1-2-13(10(17)18)3-5-16(6-4-13)11(19)14-7-9-8-21-12(20)15-9/h8H,2-7H2,1H3,(H,14,19)(H,15,20)(H,17,18)
InChIKeyNIHCHMAMEKKMKD-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.22
Rot. Bonds4

About 4-ethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid

4-ethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 106382767) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-ethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID106382767
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name4-ethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NCc2csc(=O)[nH]2)CC1
InChIInChI=1S/C13H19N3O4S/c1-2-13(10(17)18)3-5-16(6-4-13)11(19)14-7-9-8-21-12(20)15-9/h8H,2-7H2,1H3,(H,14,19)(H,15,20)(H,17,18)
InChIKeyNIHCHMAMEKKMKD-UHFFFAOYSA-N
XLogP1.22
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 106382880
4-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 63126941
4-ethyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 63126930
1-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 106382934
2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid
CID 114181709
4-ethyl-1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 63303555
1-[(2-amino-2-oxoethyl)carbamoyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126209
4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-4-carboxylic acid
CID 63126473
1-[(3-amino-3-oxopropyl)carbamoyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126588
4-ethyl-1-[(4-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 63125610
2-oxo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-piperazin-1-ylacetamide
CID 106382993
4-ethyl-1-(thiolan-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 80586532

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid (CID 106382767) is 4-ethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)NCc2csc(=O)[nH]2)CC1.
What is the InChIKey of 4-ethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is NIHCHMAMEKKMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-2-13(10(17)18)3-5-16(6-4-13)11(19)14-7-9-8-21-12(20)15-9/h8H,2-7H2,1H3,(H,14,19)(H,15,20)(H,17,18).
What are the key properties of 4-ethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
4-ethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 313.38 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106382767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).