1-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone

C16H22ClN3O4S2 — CID 6465278

IUPAC1-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1
InChIInChI=1S/C16H22ClN3O4S2/c1-12(21)18-6-4-13(5-7-18)16(22)19-8-10-20(11-9-19)26(23,24)15-3-2-14(17)25-15/h2-3,13H,4-11H2,1H3
InChIKeyRCXWENMTCGLWLA-UHFFFAOYSA-N
MW419.96 g/mol
LogP1.49
Rot. Bonds3

About 1-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone

1-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 6465278) has the molecular formula C16H22ClN3O4S2 and a molecular weight of 419.96 g/mol. Its IUPAC name is 1-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID6465278
Molecular FormulaC16H22ClN3O4S2
Molecular Weight419.96 g/mol
Exact Mass419.07
IUPAC Name1-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1
InChIInChI=1S/C16H22ClN3O4S2/c1-12(21)18-6-4-13(5-7-18)16(22)19-8-10-20(11-9-19)26(23,24)15-3-2-14(17)25-15/h2-3,13H,4-11H2,1H3
InChIKeyRCXWENMTCGLWLA-UHFFFAOYSA-N
XLogP1.49
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.96
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone (CID 6465278) is 1-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1.
What is the InChIKey of 1-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is RCXWENMTCGLWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O4S2/c1-12(21)18-6-4-13(5-7-18)16(22)19-8-10-20(11-9-19)26(23,24)15-3-2-14(17)25-15/h2-3,13H,4-11H2,1H3.
What are the key properties of 1-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone?
1-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 419.96 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 6465278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).