4-propyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid

C14H21N3O3S — CID 63126929

IUPAC4-propyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)NCc2nccs2)CC1
InChIInChI=1S/C14H21N3O3S/c1-2-3-14(12(18)19)4-7-17(8-5-14)13(20)16-10-11-15-6-9-21-11/h6,9H,2-5,7-8,10H2,1H3,(H,16,20)(H,18,19)
InChIKeyHLKHOOIJSJPRQI-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.32
Rot. Bonds5

About 4-propyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid

4-propyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 63126929) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-propyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-propyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID63126929
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name4-propyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)NCc2nccs2)CC1
InChIInChI=1S/C14H21N3O3S/c1-2-3-14(12(18)19)4-7-17(8-5-14)13(20)16-10-11-15-6-9-21-11/h6,9H,2-5,7-8,10H2,1H3,(H,16,20)(H,18,19)
InChIKeyHLKHOOIJSJPRQI-UHFFFAOYSA-N
XLogP2.32
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.32
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
3-propyl-1-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145587
1-[(1,3-thiazol-2-ylmethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446587
4-(2-methylpropanoyl)-N-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 146075678
4-(4-methylbenzoyl)-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxamide
CID 138994396
3-propyl-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
CID 63134919
4-propyl-1-(pyrimidin-5-ylcarbamoyl)piperidine-4-carboxylic acid
CID 107589365
4-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 63126941
1-(but-3-enylcarbamoyl)-4-propylpiperidine-4-carboxylic acid
CID 113465880
1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 54962570
1-(tert-butylcarbamoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125699
3-propyl-1-(2-thiophen-2-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145705

Frequently Asked Questions

What is the IUPAC name of 4-propyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-propyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid (CID 63126929) is 4-propyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-propyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-propyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)NCc2nccs2)CC1.
What is the InChIKey of 4-propyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is HLKHOOIJSJPRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-2-3-14(12(18)19)4-7-17(8-5-14)13(20)16-10-11-15-6-9-21-11/h6,9H,2-5,7-8,10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-propyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid?
4-propyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 311.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63126929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).