2-[4-(2-ethyltetrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid

C16H26N6O2 — CID 135144845

IUPAC2-[4-(2-ethyltetrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
SMILESCCn1nnc(C2CCN(C3CC4(CCN(C(=O)O)C4)C3)CC2)n1
InChIInChI=1S/C16H26N6O2/c1-2-22-18-14(17-19-22)12-3-6-20(7-4-12)13-9-16(10-13)5-8-21(11-16)15(23)24/h12-13H,2-11H2,1H3,(H,23,24)
InChIKeyWWFDJJOOLSGGJA-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.40
Rot. Bonds3

About 2-[4-(2-ethyltetrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid

2-[4-(2-ethyltetrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid (PubChem CID 135144845) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[4-(2-ethyltetrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid.

Molecular Properties

Compound Name2-[4-(2-ethyltetrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
PubChem CID135144845
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC Name2-[4-(2-ethyltetrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
SMILESCCn1nnc(C2CCN(C3CC4(CCN(C(=O)O)C4)C3)CC2)n1
InChIInChI=1S/C16H26N6O2/c1-2-22-18-14(17-19-22)12-3-6-20(7-4-12)13-9-16(10-13)5-8-21(11-16)15(23)24/h12-13H,2-11H2,1H3,(H,23,24)
InChIKeyWWFDJJOOLSGGJA-UHFFFAOYSA-N
XLogP1.40
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2-ethyltetrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid with MolForge

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Related Compounds

2-[4-[ethyl(methoxy)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 155408012
2-[4-(4,5-dichloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144893
2-(4-piperidin-1-ylpiperidin-1-yl)-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144917
2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144992
2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 118295008
2-[4-(5-chloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144853
2-[4-(1-methylpyrrolidin-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144813
ethyl 2-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 118295269
2-[4-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144899
2-[4-[(2R)-2-methoxycarbonylpyrrolidin-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144938
ethyl 2-[4-(1,3-thiazol-4-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 118295215
2-[4-[(2S)-1-(2-fluoroethoxycarbonyl)pyrrolidin-2-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144805

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethyltetrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
The IUPAC name of 2-[4-(2-ethyltetrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid (CID 135144845) is 2-[4-(2-ethyltetrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid.
What is the SMILES notation for 2-[4-(2-ethyltetrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
The canonical SMILES for 2-[4-(2-ethyltetrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid is CCn1nnc(C2CCN(C3CC4(CCN(C(=O)O)C4)C3)CC2)n1.
What is the InChIKey of 2-[4-(2-ethyltetrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
The InChIKey is WWFDJJOOLSGGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-2-22-18-14(17-19-22)12-3-6-20(7-4-12)13-9-16(10-13)5-8-21(11-16)15(23)24/h12-13H,2-11H2,1H3,(H,23,24).
What are the key properties of 2-[4-(2-ethyltetrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
2-[4-(2-ethyltetrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid has a molecular weight of 334.42 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethyltetrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid is sourced from PubChem (CID 135144845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).