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

C13H23N5O2 — CID 114431580

IUPAC4-ethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid
SMILESCCCn1nnnc1CN1CCC(CC)CC1C(=O)O
InChIInChI=1S/C13H23N5O2/c1-3-6-18-12(14-15-16-18)9-17-7-5-10(4-2)8-11(17)13(19)20/h10-11H,3-9H2,1-2H3,(H,19,20)
InChIKeyWYARFLXEIHYOMZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.16
Rot. Bonds6

About 4-ethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid

4-ethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid (PubChem CID 114431580) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-ethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid
PubChem CID114431580
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name4-ethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid
SMILESCCCn1nnnc1CN1CCC(CC)CC1C(=O)O
InChIInChI=1S/C13H23N5O2/c1-3-6-18-12(14-15-16-18)9-17-7-5-10(4-2)8-11(17)13(19)20/h10-11H,3-9H2,1-2H3,(H,19,20)
InChIKeyWYARFLXEIHYOMZ-UHFFFAOYSA-N
XLogP1.16
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid
CID 107072228
1-[(1-butyltetrazol-5-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351710
4-ethyl-1-(4-hydroxybutyl)piperidine-2-carboxylic acid
CID 114431447
1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethylpiperidine-2-carboxylic acid
CID 114431052
2-[1,1-dioxo-4-[(1-propyltetrazol-5-yl)methyl]-1,4-thiazinan-3-yl]acetic acid
CID 80516543
1-[2-(dimethylamino)ethyl]-4-ethylpiperidine-2-carboxylic acid
CID 114431248
1-(cyclopentylmethyl)-4-ethylpiperidine-2-carboxylic acid
CID 114431174
4-ethyl-1-(2-methylpropyl)piperidine-2-carboxylic acid
CID 114430632
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 114430849
1-methylsulfonyl-4-[(1-propyltetrazol-5-yl)methyl]piperazine
CID 27128878
4-ethyl-1-(3-methoxypropyl)piperidine-2-carboxylic acid
CID 114431008
4-(phenoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine
CID 86831886

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid (CID 114431580) is 4-ethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid is CCCn1nnnc1CN1CCC(CC)CC1C(=O)O.
What is the InChIKey of 4-ethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid?
The InChIKey is WYARFLXEIHYOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-3-6-18-12(14-15-16-18)9-17-7-5-10(4-2)8-11(17)13(19)20/h10-11H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 4-ethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid?
4-ethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid has a molecular weight of 281.36 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114431580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).