3-ethyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylic acid

C11H17N5O3 — CID 63134611

IUPAC3-ethyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)Cn2cnnn2)C1
InChIInChI=1S/C11H17N5O3/c1-2-11(10(18)19)4-3-5-15(7-11)9(17)6-16-8-12-13-14-16/h8H,2-7H2,1H3,(H,18,19)
InChIKeyLBFMTANDGIYMPQ-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.22
Rot. Bonds4

About 3-ethyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylic acid

3-ethyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylic acid (PubChem CID 63134611) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-ethyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylic acid
PubChem CID63134611
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name3-ethyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)Cn2cnnn2)C1
InChIInChI=1S/C11H17N5O3/c1-2-11(10(18)19)4-3-5-15(7-11)9(17)6-16-8-12-13-14-16/h8H,2-7H2,1H3,(H,18,19)
InChIKeyLBFMTANDGIYMPQ-UHFFFAOYSA-N
XLogP-0.22
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-propyl-1-[2-(triazol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 115348165
(3R)-3-ethyl-1-(2-methylsulfanylacetyl)piperidine-3-carboxylic acid
CID 95017438
3-propyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 63134195
1-[2-(1,4-diazepan-1-yl)acetyl]-3-ethylpiperidine-3-carboxylic acid
CID 63134718
2-methyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-2-carboxylic acid
CID 113430628
1-[2-(2,4-dimethylcyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone
CID 167968288
4-phenyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxylic acid
CID 119164517
3-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 80722620
3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid
CID 63135585
1-[2-(2-chlorophenyl)acetyl]-3-ethylpiperidine-3-carboxylic acid
CID 63134129
3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid
CID 63146724
(3R)-3-propyl-1-(2-pyrrolidin-1-ylacetyl)piperidine-3-carboxylic acid
CID 97144655

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylic acid (CID 63134611) is 3-ethyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C(=O)Cn2cnnn2)C1.
What is the InChIKey of 3-ethyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylic acid?
The InChIKey is LBFMTANDGIYMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-2-11(10(18)19)4-3-5-15(7-11)9(17)6-16-8-12-13-14-16/h8H,2-7H2,1H3,(H,18,19).
What are the key properties of 3-ethyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylic acid?
3-ethyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 63134611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).