(4-phenylpiperazin-1-yl)-[1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanone

C23H27N7O3S — CID 646218

IUPAC(4-phenylpiperazin-1-yl)-[1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H27N7O3S/c31-23(28-16-14-27(15-17-28)20-4-2-1-3-5-20)19-10-12-29(13-11-19)34(32,33)22-8-6-21(7-9-22)30-18-24-25-26-30/h1-9,18-19H,10-17H2
InChIKeyWUSIUIAVNIUMGR-UHFFFAOYSA-N
MW481.58 g/mol
LogP1.41
Rot. Bonds5

About (4-phenylpiperazin-1-yl)-[1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanone

(4-phenylpiperazin-1-yl)-[1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanone (PubChem CID 646218) has the molecular formula C23H27N7O3S and a molecular weight of 481.58 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-[1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-[1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanone
PubChem CID646218
Molecular FormulaC23H27N7O3S
Molecular Weight481.58 g/mol
Exact Mass481.19
IUPAC Name(4-phenylpiperazin-1-yl)-[1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H27N7O3S/c31-23(28-16-14-27(15-17-28)20-4-2-1-3-5-20)19-10-12-29(13-11-19)34(32,33)22-8-6-21(7-9-22)30-18-24-25-26-30/h1-9,18-19H,10-17H2
InChIKeyWUSIUIAVNIUMGR-UHFFFAOYSA-N
XLogP1.41
TPSA104.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-[1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-[1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanone (CID 646218) is (4-phenylpiperazin-1-yl)-[1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-[1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-[1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanone is O=C(C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-[1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanone?
The InChIKey is WUSIUIAVNIUMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O3S/c31-23(28-16-14-27(15-17-28)20-4-2-1-3-5-20)19-10-12-29(13-11-19)34(32,33)22-8-6-21(7-9-22)30-18-24-25-26-30/h1-9,18-19H,10-17H2.
What are the key properties of (4-phenylpiperazin-1-yl)-[1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanone?
(4-phenylpiperazin-1-yl)-[1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanone has a molecular weight of 481.58 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-[1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 646218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).