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

C12H20N6O3 — CID 63127397

IUPAC4-ethyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NC(C)c2nn[nH]n2)CC1
InChIInChI=1S/C12H20N6O3/c1-3-12(10(19)20)4-6-18(7-5-12)11(21)13-8(2)9-14-16-17-15-9/h8H,3-7H2,1-2H3,(H,13,21)(H,19,20)(H,14,15,16,17)
InChIKeyQLQVLYCPTYAXDC-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.55
Rot. Bonds4

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

4-ethyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 63127397) has the molecular formula C12H20N6O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-ethyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID63127397
Molecular FormulaC12H20N6O3
Molecular Weight296.33 g/mol
Exact Mass296.16
IUPAC Name4-ethyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NC(C)c2nn[nH]n2)CC1
InChIInChI=1S/C12H20N6O3/c1-3-12(10(19)20)4-6-18(7-5-12)11(21)13-8(2)9-14-16-17-15-9/h8H,3-7H2,1-2H3,(H,13,21)(H,19,20)(H,14,15,16,17)
InChIKeyQLQVLYCPTYAXDC-UHFFFAOYSA-N
XLogP0.55
TPSA124.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid (CID 63127397) is 4-ethyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)NC(C)c2nn[nH]n2)CC1.
What is the InChIKey of 4-ethyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is QLQVLYCPTYAXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O3/c1-3-12(10(19)20)4-6-18(7-5-12)11(21)13-8(2)9-14-16-17-15-9/h8H,3-7H2,1-2H3,(H,13,21)(H,19,20)(H,14,15,16,17).
What are the key properties of 4-ethyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
4-ethyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 296.33 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 63127397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).