2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-piperidin-1-ylethanone

C13H17N5O2 — CID 861128

IUPAC2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-piperidin-1-ylethanone
SMILESCc1ccc(-c2nnn(CC(=O)N3CCCCC3)n2)o1
InChIInChI=1S/C13H17N5O2/c1-10-5-6-11(20-10)13-14-16-18(15-13)9-12(19)17-7-3-2-4-8-17/h5-6H,2-4,7-9H2,1H3
InChIKeyGMSBOLABIKNIRE-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.25
Rot. Bonds3

About 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-piperidin-1-ylethanone

2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-piperidin-1-ylethanone (PubChem CID 861128) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-piperidin-1-ylethanone
PubChem CID861128
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-piperidin-1-ylethanone
SMILESCc1ccc(-c2nnn(CC(=O)N3CCCCC3)n2)o1
InChIInChI=1S/C13H17N5O2/c1-10-5-6-11(20-10)13-14-16-18(15-13)9-12(19)17-7-3-2-4-8-17/h5-6H,2-4,7-9H2,1H3
InChIKeyGMSBOLABIKNIRE-UHFFFAOYSA-N
XLogP1.25
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-piperidin-1-ylethanone (CID 861128) is 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-piperidin-1-ylethanone is Cc1ccc(-c2nnn(CC(=O)N3CCCCC3)n2)o1.
What is the InChIKey of 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-piperidin-1-ylethanone?
The InChIKey is GMSBOLABIKNIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-10-5-6-11(20-10)13-14-16-18(15-13)9-12(19)17-7-3-2-4-8-17/h5-6H,2-4,7-9H2,1H3.
What are the key properties of 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-piperidin-1-ylethanone?
2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-piperidin-1-ylethanone has a molecular weight of 275.31 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 861128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).