N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-2-(tetrazol-1-yl)acetamide

C12H20N6O2 — CID 91767889

IUPACN-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)N[C@H]1COC[C@@H]1N1CCCCC1
InChIInChI=1S/C12H20N6O2/c19-12(6-18-9-13-15-16-18)14-10-7-20-8-11(10)17-4-2-1-3-5-17/h9-11H,1-8H2,(H,14,19)/t10-,11-/m0/s1
InChIKeyOAIYAFURDJUGTB-QWRGUYRKSA-N
MW280.33 g/mol
LogP-0.96
Rot. Bonds4

About N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-2-(tetrazol-1-yl)acetamide

N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-2-(tetrazol-1-yl)acetamide (PubChem CID 91767889) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-2-(tetrazol-1-yl)acetamide
PubChem CID91767889
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC NameN-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)N[C@H]1COC[C@@H]1N1CCCCC1
InChIInChI=1S/C12H20N6O2/c19-12(6-18-9-13-15-16-18)14-10-7-20-8-11(10)17-4-2-1-3-5-17/h9-11H,1-8H2,(H,14,19)/t10-,11-/m0/s1
InChIKeyOAIYAFURDJUGTB-QWRGUYRKSA-N
XLogP-0.96
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-2-(tetrazol-1-yl)acetamide (CID 91767889) is N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)N[C@H]1COC[C@@H]1N1CCCCC1.
What is the InChIKey of N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is OAIYAFURDJUGTB-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H20N6O2/c19-12(6-18-9-13-15-16-18)14-10-7-20-8-11(10)17-4-2-1-3-5-17/h9-11H,1-8H2,(H,14,19)/t10-,11-/m0/s1.
What are the key properties of N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-2-(tetrazol-1-yl)acetamide?
N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 280.33 g/mol, XLogP of -0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 91767889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).