2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-(4-phenylpiperazin-1-yl)ethanone

C18H20N6O2 — CID 647607

IUPAC2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1ccc(-c2nnn(CC(=O)N3CCN(c4ccccc4)CC3)n2)o1
InChIInChI=1S/C18H20N6O2/c1-14-7-8-16(26-14)18-19-21-24(20-18)13-17(25)23-11-9-22(10-12-23)15-5-3-2-4-6-15/h2-8H,9-13H2,1H3
InChIKeyDJSZNZYZQRFJHT-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.59
Rot. Bonds4

About 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-(4-phenylpiperazin-1-yl)ethanone

2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 647607) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID647607
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1ccc(-c2nnn(CC(=O)N3CCN(c4ccccc4)CC3)n2)o1
InChIInChI=1S/C18H20N6O2/c1-14-7-8-16(26-14)18-19-21-24(20-18)13-17(25)23-11-9-22(10-12-23)15-5-3-2-4-6-15/h2-8H,9-13H2,1H3
InChIKeyDJSZNZYZQRFJHT-UHFFFAOYSA-N
XLogP1.59
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-(4-phenylpiperazin-1-yl)ethanone (CID 647607) is 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-(4-phenylpiperazin-1-yl)ethanone is Cc1ccc(-c2nnn(CC(=O)N3CCN(c4ccccc4)CC3)n2)o1.
What is the InChIKey of 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is DJSZNZYZQRFJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-14-7-8-16(26-14)18-19-21-24(20-18)13-17(25)23-11-9-22(10-12-23)15-5-3-2-4-6-15/h2-8H,9-13H2,1H3.
What are the key properties of 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 352.40 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 647607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).