3-[2-(3-chlorophenyl)tetrazol-5-yl]piperidine-1-carboxylic acid

C13H14ClN5O2 — CID 57459666

IUPAC3-[2-(3-chlorophenyl)tetrazol-5-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC(c2nnn(-c3cccc(Cl)c3)n2)C1
InChIInChI=1S/C13H14ClN5O2/c14-10-4-1-5-11(7-10)19-16-12(15-17-19)9-3-2-6-18(8-9)13(20)21/h1,4-5,7,9H,2-3,6,8H2,(H,20,21)
InChIKeyJVNXRAFQFHRANK-UHFFFAOYSA-N
MW307.74 g/mol
LogP2.17
Rot. Bonds2

About 3-[2-(3-chlorophenyl)tetrazol-5-yl]piperidine-1-carboxylic acid

3-[2-(3-chlorophenyl)tetrazol-5-yl]piperidine-1-carboxylic acid (PubChem CID 57459666) has the molecular formula C13H14ClN5O2 and a molecular weight of 307.74 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)tetrazol-5-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)tetrazol-5-yl]piperidine-1-carboxylic acid
PubChem CID57459666
Molecular FormulaC13H14ClN5O2
Molecular Weight307.74 g/mol
Exact Mass307.08
IUPAC Name3-[2-(3-chlorophenyl)tetrazol-5-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC(c2nnn(-c3cccc(Cl)c3)n2)C1
InChIInChI=1S/C13H14ClN5O2/c14-10-4-1-5-11(7-10)19-16-12(15-17-19)9-3-2-6-18(8-9)13(20)21/h1,4-5,7,9H,2-3,6,8H2,(H,20,21)
InChIKeyJVNXRAFQFHRANK-UHFFFAOYSA-N
XLogP2.17
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(3-chlorophenyl)tetrazol-5-yl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 69205005
3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylic acid
CID 141133176
3-[2-(3-chlorophenyl)tetrazol-5-yl]morpholine
CID 69460917
(3R)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 124576615
3-(3-chloro-N-prop-2-enylanilino)piperidine-1-carboxylic acid
CID 69175008
(3S)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 119173755
[1-(3-chlorophenyl)pyrazol-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110901194
(2R)-2-[2-(3-cyanophenyl)tetrazol-5-yl]pyrrolidine-1-carbothioic S-acid
CID 141188437
(3-chlorophenyl)-[(3R)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone
CID 30863924
2-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoacetamide
CID 95713635
5-chloro-1-(3-chlorophenyl)-3-cyclopropylpyrazole-4-carboxylic acid
CID 63354074
[1-(3-chlorophenyl)-5-propyltriazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489805

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)tetrazol-5-yl]piperidine-1-carboxylic acid?
The IUPAC name of 3-[2-(3-chlorophenyl)tetrazol-5-yl]piperidine-1-carboxylic acid (CID 57459666) is 3-[2-(3-chlorophenyl)tetrazol-5-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[2-(3-chlorophenyl)tetrazol-5-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[2-(3-chlorophenyl)tetrazol-5-yl]piperidine-1-carboxylic acid is O=C(O)N1CCCC(c2nnn(-c3cccc(Cl)c3)n2)C1.
What is the InChIKey of 3-[2-(3-chlorophenyl)tetrazol-5-yl]piperidine-1-carboxylic acid?
The InChIKey is JVNXRAFQFHRANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O2/c14-10-4-1-5-11(7-10)19-16-12(15-17-19)9-3-2-6-18(8-9)13(20)21/h1,4-5,7,9H,2-3,6,8H2,(H,20,21).
What are the key properties of 3-[2-(3-chlorophenyl)tetrazol-5-yl]piperidine-1-carboxylic acid?
3-[2-(3-chlorophenyl)tetrazol-5-yl]piperidine-1-carboxylic acid has a molecular weight of 307.74 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)tetrazol-5-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 57459666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).