1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone

C22H29N5O4S — CID 20949520

IUPAC1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)Cn3cnc(S(=O)(=O)N4CCCCC4)c3)CC2)cc1
InChIInChI=1S/C22H29N5O4S/c1-18(28)19-5-7-20(8-6-19)25-11-13-26(14-12-25)22(29)16-24-15-21(23-17-24)32(30,31)27-9-3-2-4-10-27/h5-8,15,17H,2-4,9-14,16H2,1H3
InChIKeyHDYCSFJKRVSDRQ-UHFFFAOYSA-N
MW459.57 g/mol
LogP1.61
Rot. Bonds6

About 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone

1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone (PubChem CID 20949520) has the molecular formula C22H29N5O4S and a molecular weight of 459.57 g/mol. Its IUPAC name is 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone
PubChem CID20949520
Molecular FormulaC22H29N5O4S
Molecular Weight459.57 g/mol
Exact Mass459.19
IUPAC Name1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)Cn3cnc(S(=O)(=O)N4CCCCC4)c3)CC2)cc1
InChIInChI=1S/C22H29N5O4S/c1-18(28)19-5-7-20(8-6-19)25-11-13-26(14-12-25)22(29)16-24-15-21(23-17-24)32(30,31)27-9-3-2-4-10-27/h5-8,15,17H,2-4,9-14,16H2,1H3
InChIKeyHDYCSFJKRVSDRQ-UHFFFAOYSA-N
XLogP1.61
TPSA95.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone?
The IUPAC name of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone (CID 20949520) is 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone is CC(=O)c1ccc(N2CCN(C(=O)Cn3cnc(S(=O)(=O)N4CCCCC4)c3)CC2)cc1.
What is the InChIKey of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone?
The InChIKey is HDYCSFJKRVSDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4S/c1-18(28)19-5-7-20(8-6-19)25-11-13-26(14-12-25)22(29)16-24-15-21(23-17-24)32(30,31)27-9-3-2-4-10-27/h5-8,15,17H,2-4,9-14,16H2,1H3.
What are the key properties of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone?
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone has a molecular weight of 459.57 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone is sourced from PubChem (CID 20949520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).