3-methyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid

C12H21N5O2 — CID 107072228

IUPAC3-methyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid
SMILESCCCn1nnnc1CN1CCCC(C)C1C(=O)O
InChIInChI=1S/C12H21N5O2/c1-3-6-17-10(13-14-15-17)8-16-7-4-5-9(2)11(16)12(18)19/h9,11H,3-8H2,1-2H3,(H,18,19)
InChIKeyDQVUWAJQOZUOJN-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.77
Rot. Bonds5

About 3-methyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid

3-methyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid (PubChem CID 107072228) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-methyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid
PubChem CID107072228
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name3-methyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid
SMILESCCCn1nnnc1CN1CCCC(C)C1C(=O)O
InChIInChI=1S/C12H21N5O2/c1-3-6-17-10(13-14-15-17)8-16-7-4-5-9(2)11(16)12(18)19/h9,11H,3-8H2,1-2H3,(H,18,19)
InChIKeyDQVUWAJQOZUOJN-UHFFFAOYSA-N
XLogP0.77
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid
CID 114431580
1-propyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole
CID 62274940
1-[(2S)-2-[(2R)-1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95346528
tert-butyl 3-methyl-4-[(1-propyltetrazol-5-yl)methyl]piperazine-1-carboxylate
CID 56785628
2-[1,1-dioxo-4-[(1-propyltetrazol-5-yl)methyl]-1,4-thiazinan-3-yl]acetic acid
CID 80516543
ethyl (3R)-1-[(1-propyltetrazol-5-yl)methyl]piperidine-3-carboxylate
CID 81337751
(3R)-3-(methoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine
CID 96538871
1-(3-fluoropropyl)-3-methylpiperidine-2-carboxylic acid
CID 107072166
1-[(1-butyltetrazol-5-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351710
3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid
CID 107072051
3-methyl-1-(2-methylpentyl)piperidine-2-carboxylic acid
CID 107072437
1-[(2-carbamoylphenyl)methyl]-3-methylpiperidine-2-carboxylic acid
CID 107072129

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid (CID 107072228) is 3-methyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid is CCCn1nnnc1CN1CCCC(C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid?
The InChIKey is DQVUWAJQOZUOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-3-6-17-10(13-14-15-17)8-16-7-4-5-9(2)11(16)12(18)19/h9,11H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid?
3-methyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid has a molecular weight of 267.33 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 107072228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).