furan-2-yl-[4-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone

C23H30N6O2 — CID 650696

IUPACfuran-2-yl-[4-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone
SMILESCC(C)CC(c1nnnn1CCc1ccccc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C23H30N6O2/c1-18(2)17-20(22-24-25-26-29(22)11-10-19-7-4-3-5-8-19)27-12-14-28(15-13-27)23(30)21-9-6-16-31-21/h3-9,16,18,20H,10-15,17H2,1-2H3
InChIKeyKQPUOKKOLZANMA-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.05
Rot. Bonds8

About furan-2-yl-[4-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone

furan-2-yl-[4-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone (PubChem CID 650696) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is furan-2-yl-[4-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone
PubChem CID650696
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Namefuran-2-yl-[4-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone
SMILESCC(C)CC(c1nnnn1CCc1ccccc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C23H30N6O2/c1-18(2)17-20(22-24-25-26-29(22)11-10-19-7-4-3-5-8-19)27-12-14-28(15-13-27)23(30)21-9-6-16-31-21/h3-9,16,18,20H,10-15,17H2,1-2H3
InChIKeyKQPUOKKOLZANMA-UHFFFAOYSA-N
XLogP3.05
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone (CID 650696) is furan-2-yl-[4-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone is CC(C)CC(c1nnnn1CCc1ccccc1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of furan-2-yl-[4-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone?
The InChIKey is KQPUOKKOLZANMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-18(2)17-20(22-24-25-26-29(22)11-10-19-7-4-3-5-8-19)27-12-14-28(15-13-27)23(30)21-9-6-16-31-21/h3-9,16,18,20H,10-15,17H2,1-2H3.
What are the key properties of furan-2-yl-[4-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone has a molecular weight of 422.53 g/mol, XLogP of 3.05, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone is sourced from PubChem (CID 650696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).