1-(4-benzylpiperazin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone

C22H29N3O3S2 — CID 34347338

IUPAC1-(4-benzylpiperazin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H29N3O3S2/c26-21(24-15-13-23(14-16-24)18-19-7-3-1-4-8-19)17-20-9-10-22(29-20)30(27,28)25-11-5-2-6-12-25/h1,3-4,7-10H,2,5-6,11-18H2
InChIKeyRJFCUWIEGOMGDR-UHFFFAOYSA-N
MW447.63 g/mol
LogP2.81
Rot. Bonds6

About 1-(4-benzylpiperazin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone

1-(4-benzylpiperazin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone (PubChem CID 34347338) has the molecular formula C22H29N3O3S2 and a molecular weight of 447.63 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
PubChem CID34347338
Molecular FormulaC22H29N3O3S2
Molecular Weight447.63 g/mol
Exact Mass447.17
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H29N3O3S2/c26-21(24-15-13-23(14-16-24)18-19-7-3-1-4-8-19)17-20-9-10-22(29-20)30(27,28)25-11-5-2-6-12-25/h1,3-4,7-10H,2,5-6,11-18H2
InChIKeyRJFCUWIEGOMGDR-UHFFFAOYSA-N
XLogP2.81
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.63
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-benzylpiperazin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone with MolForge

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Related Compounds

2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 55369200
2-[5-(azepan-1-ylsulfonyl)thiophen-2-yl]-1-piperidin-1-ylethanone
CID 53067970
1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 55496650
1-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylethanone
CID 110364906
1-(4-aminopiperidin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119375493
1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113073930
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119545474
4-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]morpholine-2-carboxylic acid
CID 119239114
phenyl 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
CID 8765493
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 55330438
1-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
CID 1167101
1-(3-aminopiperidin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119379191

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone (CID 34347338) is 1-(4-benzylpiperazin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone is O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone?
The InChIKey is RJFCUWIEGOMGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S2/c26-21(24-15-13-23(14-16-24)18-19-7-3-1-4-8-19)17-20-9-10-22(29-20)30(27,28)25-11-5-2-6-12-25/h1,3-4,7-10H,2,5-6,11-18H2.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone?
1-(4-benzylpiperazin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone has a molecular weight of 447.63 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone is sourced from PubChem (CID 34347338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).