1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone

C23H27N3O4S2 — CID 55330438

IUPAC1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C23H27N3O4S2/c27-21(16-18-8-9-22(31-18)32(28,29)26-12-4-1-5-13-26)25-14-10-17(11-15-25)23-24-19-6-2-3-7-20(19)30-23/h2-3,6-9,17H,1,4-5,10-16H2
InChIKeyODAOUEJPOKYENU-UHFFFAOYSA-N
MW473.62 g/mol
LogP4.01
Rot. Bonds5

About 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone

1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone (PubChem CID 55330438) has the molecular formula C23H27N3O4S2 and a molecular weight of 473.62 g/mol. Its IUPAC name is 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
PubChem CID55330438
Molecular FormulaC23H27N3O4S2
Molecular Weight473.62 g/mol
Exact Mass473.14
IUPAC Name1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C23H27N3O4S2/c27-21(16-18-8-9-22(31-18)32(28,29)26-12-4-1-5-13-26)25-14-10-17(11-15-25)23-24-19-6-2-3-7-20(19)30-23/h2-3,6-9,17H,1,4-5,10-16H2
InChIKeyODAOUEJPOKYENU-UHFFFAOYSA-N
XLogP4.01
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(azepan-1-ylsulfonyl)thiophen-2-yl]-1-piperidin-1-ylethanone
CID 53067970
1-(4-aminopiperidin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119375493
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119545474
1-(4-benzylpiperazin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 34347338
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 46663861
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 94123933
1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 25362514
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methanone
CID 43012683
2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 55369200
3-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137001798
4-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]morpholine-2-carboxylic acid
CID 119239114
ethyl 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoacetate
CID 21007968

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone?
The IUPAC name of 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone (CID 55330438) is 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone?
The canonical SMILES for 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone is O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)N1CCC(c2nc3ccccc3o2)CC1.
What is the InChIKey of 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone?
The InChIKey is ODAOUEJPOKYENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S2/c27-21(16-18-8-9-22(31-18)32(28,29)26-12-4-1-5-13-26)25-14-10-17(11-15-25)23-24-19-6-2-3-7-20(19)30-23/h2-3,6-9,17H,1,4-5,10-16H2.
What are the key properties of 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone?
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone has a molecular weight of 473.62 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone is sourced from PubChem (CID 55330438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).