1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one

C24H36N2O5S — CID 55719707

IUPAC1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one
SMILESO=C(CCOCC1CCCO1)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C24H36N2O5S/c27-24(12-18-30-19-22-7-4-17-31-22)25-13-15-26(16-14-25)32(28,29)23-10-8-21(9-11-23)20-5-2-1-3-6-20/h8-11,20,22H,1-7,12-19H2
InChIKeyQMUFZJPJJJUUAF-UHFFFAOYSA-N
MW464.63 g/mol
LogP3.15
Rot. Bonds8

About 1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one

1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one (PubChem CID 55719707) has the molecular formula C24H36N2O5S and a molecular weight of 464.63 g/mol. Its IUPAC name is 1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one.

Molecular Properties

Compound Name1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one
PubChem CID55719707
Molecular FormulaC24H36N2O5S
Molecular Weight464.63 g/mol
Exact Mass464.23
IUPAC Name1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one
SMILESO=C(CCOCC1CCCO1)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C24H36N2O5S/c27-24(12-18-30-19-22-7-4-17-31-22)25-13-15-26(16-14-25)32(28,29)23-10-8-21(9-11-23)20-5-2-1-3-6-20/h8-11,20,22H,1-7,12-19H2
InChIKeyQMUFZJPJJJUUAF-UHFFFAOYSA-N
XLogP3.15
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.63
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(oxolan-2-ylmethoxy)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one
CID 55719765
3-amino-1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119269998
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]ethanone
CID 96573319
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55754467
3-(oxolan-2-ylmethoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55753164
1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 55338572
1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-2-(methylamino)ethanone
CID 119687160
4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 7964739
1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-(oxolan-2-yl)ethanone
CID 78875837
oxolan-2-ylmethyl 4-(4-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 3396448
ethyl 4-(4-cyclohexylphenyl)sulfonylpiperazine-1-carboxylate
CID 1262754
1-[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one
CID 124741648

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one?
The IUPAC name of 1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one (CID 55719707) is 1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one.
What is the SMILES notation for 1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one?
The canonical SMILES for 1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one is O=C(CCOCC1CCCO1)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1.
What is the InChIKey of 1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one?
The InChIKey is QMUFZJPJJJUUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O5S/c27-24(12-18-30-19-22-7-4-17-31-22)25-13-15-26(16-14-25)32(28,29)23-10-8-21(9-11-23)20-5-2-1-3-6-20/h8-11,20,22H,1-7,12-19H2.
What are the key properties of 1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one?
1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one has a molecular weight of 464.63 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one is sourced from PubChem (CID 55719707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).