1-(3-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone

C14H18N6O — CID 645130

IUPAC1-(3-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone
SMILESCC1CCCN(C(=O)Cn2nnc(-c3cccnc3)n2)C1
InChIInChI=1S/C14H18N6O/c1-11-4-3-7-19(9-11)13(21)10-20-17-14(16-18-20)12-5-2-6-15-8-12/h2,5-6,8,11H,3-4,7,9-10H2,1H3
InChIKeySFLHCHKLEMVAAF-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.99
Rot. Bonds3

About 1-(3-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone

1-(3-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone (PubChem CID 645130) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone
PubChem CID645130
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name1-(3-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone
SMILESCC1CCCN(C(=O)Cn2nnc(-c3cccnc3)n2)C1
InChIInChI=1S/C14H18N6O/c1-11-4-3-7-19(9-11)13(21)10-20-17-14(16-18-20)12-5-2-6-15-8-12/h2,5-6,8,11H,3-4,7,9-10H2,1H3
InChIKeySFLHCHKLEMVAAF-UHFFFAOYSA-N
XLogP0.99
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone?
The IUPAC name of 1-(3-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone (CID 645130) is 1-(3-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone is CC1CCCN(C(=O)Cn2nnc(-c3cccnc3)n2)C1.
What is the InChIKey of 1-(3-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone?
The InChIKey is SFLHCHKLEMVAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-11-4-3-7-19(9-11)13(21)10-20-17-14(16-18-20)12-5-2-6-15-8-12/h2,5-6,8,11H,3-4,7,9-10H2,1H3.
What are the key properties of 1-(3-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone?
1-(3-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone has a molecular weight of 286.34 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone is sourced from PubChem (CID 645130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).