(4-phenylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone

C20H25N3O3S2 — CID 1190372

IUPAC(4-phenylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H25N3O3S2/c24-20(22-14-12-21(13-15-22)18-5-2-1-3-6-18)17-8-10-23(11-9-17)28(25,26)19-7-4-16-27-19/h1-7,16-17H,8-15H2
InChIKeyPHXGMPHYIQCTNE-UHFFFAOYSA-N
MW419.57 g/mol
LogP2.50
Rot. Bonds4

About (4-phenylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone

(4-phenylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone (PubChem CID 1190372) has the molecular formula C20H25N3O3S2 and a molecular weight of 419.57 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
PubChem CID1190372
Molecular FormulaC20H25N3O3S2
Molecular Weight419.57 g/mol
Exact Mass419.13
IUPAC Name(4-phenylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H25N3O3S2/c24-20(22-14-12-21(13-15-22)18-5-2-1-3-6-18)17-8-10-23(11-9-17)28(25,26)19-7-4-16-27-19/h1-7,16-17H,8-15H2
InChIKeyPHXGMPHYIQCTNE-UHFFFAOYSA-N
XLogP2.50
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone (CID 1190372) is (4-phenylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone is O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
The InChIKey is PHXGMPHYIQCTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S2/c24-20(22-14-12-21(13-15-22)18-5-2-1-3-6-18)17-8-10-23(11-9-17)28(25,26)19-7-4-16-27-19/h1-7,16-17H,8-15H2.
What are the key properties of (4-phenylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
(4-phenylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone has a molecular weight of 419.57 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 1190372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).