2-cyclohexyl-1-[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone

C25H34N4O4S — CID 3225852

IUPAC2-cyclohexyl-1-[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCC(c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)CC1
InChIInChI=1S/C25H34N4O4S/c30-23(18-19-6-2-1-3-7-19)28-16-12-21(13-17-28)25-26-24(27-33-25)20-8-10-22(11-9-20)34(31,32)29-14-4-5-15-29/h8-11,19,21H,1-7,12-18H2
InChIKeyNLFNWEYWUMEBOV-UHFFFAOYSA-N
MW486.64 g/mol
LogP4.20
Rot. Bonds6

About 2-cyclohexyl-1-[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone

2-cyclohexyl-1-[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 3225852) has the molecular formula C25H34N4O4S and a molecular weight of 486.64 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
PubChem CID3225852
Molecular FormulaC25H34N4O4S
Molecular Weight486.64 g/mol
Exact Mass486.23
IUPAC Name2-cyclohexyl-1-[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCC(c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)CC1
InChIInChI=1S/C25H34N4O4S/c30-23(18-19-6-2-1-3-7-19)28-16-12-21(13-17-28)25-26-24(27-33-25)20-8-10-22(11-9-20)34(31,32)29-14-4-5-15-29/h8-11,19,21H,1-7,12-18H2
InChIKeyNLFNWEYWUMEBOV-UHFFFAOYSA-N
XLogP4.20
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.64
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-cyclohexyl-1-[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-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

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone (CID 3225852) is 2-cyclohexyl-1-[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone is O=C(CC1CCCCC1)N1CCC(c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)CC1.
What is the InChIKey of 2-cyclohexyl-1-[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is NLFNWEYWUMEBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4S/c30-23(18-19-6-2-1-3-7-19)28-16-12-21(13-17-28)25-26-24(27-33-25)20-8-10-22(11-9-20)34(31,32)29-14-4-5-15-29/h8-11,19,21H,1-7,12-18H2.
What are the key properties of 2-cyclohexyl-1-[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
2-cyclohexyl-1-[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 486.64 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 3225852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).