(4-phenylpiperazin-1-yl)-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone

C23H27N7O — CID 652213

IUPAC(4-phenylpiperazin-1-yl)-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2nnnn2-c2ccccc2)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H27N7O/c31-22(28-17-15-27(16-18-28)20-7-3-1-4-8-20)19-11-13-29(14-12-19)23-24-25-26-30(23)21-9-5-2-6-10-21/h1-10,19H,11-18H2
InChIKeyQKNXFXAIPPYKIL-UHFFFAOYSA-N
MW417.52 g/mol
LogP2.23
Rot. Bonds4

About (4-phenylpiperazin-1-yl)-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone

(4-phenylpiperazin-1-yl)-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone (PubChem CID 652213) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone
PubChem CID652213
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name(4-phenylpiperazin-1-yl)-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2nnnn2-c2ccccc2)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H27N7O/c31-22(28-17-15-27(16-18-28)20-7-3-1-4-8-20)19-11-13-29(14-12-19)23-24-25-26-30(23)21-9-5-2-6-10-21/h1-10,19H,11-18H2
InChIKeyQKNXFXAIPPYKIL-UHFFFAOYSA-N
XLogP2.23
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone (CID 652213) is (4-phenylpiperazin-1-yl)-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone is O=C(C1CCN(c2nnnn2-c2ccccc2)CC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone?
The InChIKey is QKNXFXAIPPYKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c31-22(28-17-15-27(16-18-28)20-7-3-1-4-8-20)19-11-13-29(14-12-19)23-24-25-26-30(23)21-9-5-2-6-10-21/h1-10,19H,11-18H2.
What are the key properties of (4-phenylpiperazin-1-yl)-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone?
(4-phenylpiperazin-1-yl)-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone has a molecular weight of 417.52 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 652213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).