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

C14H21N3O3S — CID 63126941

IUPAC4-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NCc2csc(C)n2)CC1
InChIInChI=1S/C14H21N3O3S/c1-3-14(12(18)19)4-6-17(7-5-14)13(20)15-8-11-9-21-10(2)16-11/h9H,3-8H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyXEBAVIASAKJOAS-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.24
Rot. Bonds4

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

4-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 63126941) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID63126941
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name4-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NCc2csc(C)n2)CC1
InChIInChI=1S/C14H21N3O3S/c1-3-14(12(18)19)4-6-17(7-5-14)13(20)15-8-11-9-21-10(2)16-11/h9H,3-8H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyXEBAVIASAKJOAS-UHFFFAOYSA-N
XLogP2.24
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 63126930
2-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 83071216
4-ethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 106382767
4-ethyl-1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 63303555
N-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[indene-1,4'-piperidine]-1'-carboxamide
CID 119062370
1-[[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436821
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide
CID 119069111
3-ethyl-1-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63146020
1-[(2-amino-2-oxoethyl)carbamoyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126209
4-propyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 63126929
4-ethyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
CID 63327650
4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-4-carboxylic acid
CID 63126473

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid (CID 63126941) is 4-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)NCc2csc(C)n2)CC1.
What is the InChIKey of 4-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is XEBAVIASAKJOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-3-14(12(18)19)4-6-17(7-5-14)13(20)15-8-11-9-21-10(2)16-11/h9H,3-8H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 4-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
4-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 311.41 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 63126941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).