1-benzyl-4-(dimethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidine

C27H38FN3O3S — CID 170638454

IUPAC1-benzyl-4-(dimethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidine
SMILESCN(C)S(=O)(=O)NC1CCN(Cc2ccccc2)CC1COC1CCC(c2cccc(F)c2)CC1
InChIInChI=1S/C27H38FN3O3S/c1-30(2)35(32,33)29-27-15-16-31(18-21-7-4-3-5-8-21)19-24(27)20-34-26-13-11-22(12-14-26)23-9-6-10-25(28)17-23/h3-10,17,22,24,26-27,29H,11-16,18-20H2,1-2H3
InChIKeyGMANAAYKZJYHSB-UHFFFAOYSA-N
MW503.68 g/mol
LogP4.16
Rot. Bonds9

About 1-benzyl-4-(dimethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidine

1-benzyl-4-(dimethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidine (PubChem CID 170638454) has the molecular formula C27H38FN3O3S and a molecular weight of 503.68 g/mol. Its IUPAC name is 1-benzyl-4-(dimethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidine.

Molecular Properties

Compound Name1-benzyl-4-(dimethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidine
PubChem CID170638454
Molecular FormulaC27H38FN3O3S
Molecular Weight503.68 g/mol
Exact Mass503.26
IUPAC Name1-benzyl-4-(dimethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidine
SMILESCN(C)S(=O)(=O)NC1CCN(Cc2ccccc2)CC1COC1CCC(c2cccc(F)c2)CC1
InChIInChI=1S/C27H38FN3O3S/c1-30(2)35(32,33)29-27-15-16-31(18-21-7-4-3-5-8-21)19-24(27)20-34-26-13-11-22(12-14-26)23-9-6-10-25(28)17-23/h3-10,17,22,24,26-27,29H,11-16,18-20H2,1-2H3
InChIKeyGMANAAYKZJYHSB-UHFFFAOYSA-N
XLogP4.16
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.68
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-phenylcyclohexyl)oxymethyl]-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 167125966
N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 164799394
1-benzyl-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-4-one
CID 170638263
3-[(3R,4S)-4-[[cyclopropyl(methyl)sulfamoyl]amino]-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-1-yl]pyridazine
CID 170638345
N-[(3R)-3-[(4-phenylcyclohexyl)oxymethyl]-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 167125819
N-[(4S)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide
CID 164799406
methyl (2R,3S,5R)-3-(dimethylsulfamoylamino)-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]-5-methylpyrrolidine-1-carboxylate
CID 154622444
3-[(3R,4S)-4-(dipropylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-1-yl]pyridazine
CID 170638388
(4S)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]-N-(methylsulfamoyl)-1-pyridazin-3-ylpiperidin-4-amine
CID 176822259
methyl (3S)-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate
CID 164762601
(3R,4S)-N-(ethylsulfamoyl)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]-1-pyridazin-3-ylpiperidin-4-amine
CID 174324986
1,1,1-trifluoro-N-[(3R,4S)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]-1-pyridazin-3-ylpiperidin-4-yl]methanesulfonamide
CID 170638313

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(dimethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidine?
The IUPAC name of 1-benzyl-4-(dimethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidine (CID 170638454) is 1-benzyl-4-(dimethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidine.
What is the SMILES notation for 1-benzyl-4-(dimethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidine?
The canonical SMILES for 1-benzyl-4-(dimethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidine is CN(C)S(=O)(=O)NC1CCN(Cc2ccccc2)CC1COC1CCC(c2cccc(F)c2)CC1.
What is the InChIKey of 1-benzyl-4-(dimethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidine?
The InChIKey is GMANAAYKZJYHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38FN3O3S/c1-30(2)35(32,33)29-27-15-16-31(18-21-7-4-3-5-8-21)19-24(27)20-34-26-13-11-22(12-14-26)23-9-6-10-25(28)17-23/h3-10,17,22,24,26-27,29H,11-16,18-20H2,1-2H3.
What are the key properties of 1-benzyl-4-(dimethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidine?
1-benzyl-4-(dimethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidine has a molecular weight of 503.68 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(dimethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidine is sourced from PubChem (CID 170638454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).