3-ethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid

C13H21N5O3 — CID 106283395

IUPAC3-ethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)NC(C)c2ncn[nH]2)C1
InChIInChI=1S/C13H21N5O3/c1-3-13(11(19)20)5-4-6-18(7-13)12(21)16-9(2)10-14-8-15-17-10/h8-9H,3-7H2,1-2H3,(H,16,21)(H,19,20)(H,14,15,17)
InChIKeyUDCVSHDNSXIXTO-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.15
Rot. Bonds4

About 3-ethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid

3-ethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 106283395) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-ethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID106283395
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name3-ethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)NC(C)c2ncn[nH]2)C1
InChIInChI=1S/C13H21N5O3/c1-3-13(11(19)20)5-4-6-18(7-13)12(21)16-9(2)10-14-8-15-17-10/h8-9H,3-7H2,1-2H3,(H,16,21)(H,19,20)(H,14,15,17)
InChIKeyUDCVSHDNSXIXTO-UHFFFAOYSA-N
XLogP1.15
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 106283225
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-1-carboxamide
CID 103912454
3-ethyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 63136060
1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 106283274
1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
CID 63136901
1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 106283407
3-ethyl-1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 64523324
1-(cyclopentylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 55165112
3,3-dimethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 106283369
3-ethyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 55165492
3-[1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidin-3-yl]propanoic acid
CID 106283258
3-ethyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63147886

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid (CID 106283395) is 3-ethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C(=O)NC(C)c2ncn[nH]2)C1.
What is the InChIKey of 3-ethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is UDCVSHDNSXIXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-3-13(11(19)20)5-4-6-18(7-13)12(21)16-9(2)10-14-8-15-17-10/h8-9H,3-7H2,1-2H3,(H,16,21)(H,19,20)(H,14,15,17).
What are the key properties of 3-ethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
3-ethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 106283395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).