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

C23H27N7O2 — CID 1373945

IUPAC2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H27N7O2/c31-22(29-12-10-27(11-13-29)20-4-2-1-3-5-20)18-30-25-23(24-26-30)19-6-8-21(9-7-19)28-14-16-32-17-15-28/h1-9H,10-18H2
InChIKeyUPIVJSYZGZPMHW-UHFFFAOYSA-N
MW433.52 g/mol
LogP1.53
Rot. Bonds5

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

2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 1373945) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID1373945
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC Name2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H27N7O2/c31-22(29-12-10-27(11-13-29)20-4-2-1-3-5-20)18-30-25-23(24-26-30)19-6-8-21(9-7-19)28-14-16-32-17-15-28/h1-9H,10-18H2
InChIKeyUPIVJSYZGZPMHW-UHFFFAOYSA-N
XLogP1.53
TPSA79.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]-1-(4-phenylpiperazin-1-yl)ethanone (CID 1373945) is 2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]-1-(4-phenylpiperazin-1-yl)ethanone is O=C(Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is UPIVJSYZGZPMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2/c31-22(29-12-10-27(11-13-29)20-4-2-1-3-5-20)18-30-25-23(24-26-30)19-6-8-21(9-7-19)28-14-16-32-17-15-28/h1-9H,10-18H2.
What are the key properties of 2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 433.52 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 1373945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).