N-[(3S,4R)-1-(1-fluorocyclobutanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide

C24H35FN2O4S — CID 176822176

IUPACN-[(3S,4R)-1-(1-fluorocyclobutanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCN(C(=O)C2(F)CCC2)C[C@@H]1OCC1CCC(c2ccccc2)CC1
InChIInChI=1S/C24H35FN2O4S/c1-32(29,30)26-21-12-15-27(23(28)24(25)13-5-14-24)16-22(21)31-17-18-8-10-20(11-9-18)19-6-3-2-4-7-19/h2-4,6-7,18,20-22,26H,5,8-17H2,1H3/t18?,20?,21-,22+/m1/s1
InChIKeyWOXYBHZVPYAPOT-HRAFCDAUSA-N
MW466.62 g/mol
LogP3.39
Rot. Bonds7

About N-[(3S,4R)-1-(1-fluorocyclobutanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide

N-[(3S,4R)-1-(1-fluorocyclobutanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide (PubChem CID 176822176) has the molecular formula C24H35FN2O4S and a molecular weight of 466.62 g/mol. Its IUPAC name is N-[(3S,4R)-1-(1-fluorocyclobutanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(1-fluorocyclobutanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide
PubChem CID176822176
Molecular FormulaC24H35FN2O4S
Molecular Weight466.62 g/mol
Exact Mass466.23
IUPAC NameN-[(3S,4R)-1-(1-fluorocyclobutanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCN(C(=O)C2(F)CCC2)C[C@@H]1OCC1CCC(c2ccccc2)CC1
InChIInChI=1S/C24H35FN2O4S/c1-32(29,30)26-21-12-15-27(23(28)24(25)13-5-14-24)16-22(21)31-17-18-8-10-20(11-9-18)19-6-3-2-4-7-19/h2-4,6-7,18,20-22,26H,5,8-17H2,1H3/t18?,20?,21-,22+/m1/s1
InChIKeyWOXYBHZVPYAPOT-HRAFCDAUSA-N
XLogP3.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.62
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide
CID 170638795
N-[(3S,4R)-1-[(1-fluorocyclobutyl)methyl]-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide
CID 176822202
N-[(3S,4R)-1-(1-methylimidazol-4-yl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide
CID 176822211
(3R,4S)-1-(3,3-difluorocyclopentanecarbonyl)-4-(dimethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]methoxy]piperidine
CID 176822214
methyl (3R,4S)-4-(methanesulfonamido)-3-[[4-(1-methylindazol-5-yl)cyclohexyl]methoxy]piperidine-1-carboxylate
CID 170638731
3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylic acid
CID 172784142
(2R,3S)-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylic acid
CID 146472089
N-[(2R,3S)-1-methyl-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide
CID 154681368
N-[(3R,4S)-3-[[4-(1-methylindazol-5-yl)cyclohexyl]methoxy]-1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]methanesulfonamide
CID 170638728
methyl (2S)-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylate
CID 175456724
N-[(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]-1-(3,3,3-trifluoropropanoyl)pyrrolidin-3-yl]methanesulfonamide
CID 146620233
N-[(2R,3S)-1-(2-hydroxypropanoyl)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide
CID 146472024

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-(1-fluorocyclobutanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[(3S,4R)-1-(1-fluorocyclobutanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide (CID 176822176) is N-[(3S,4R)-1-(1-fluorocyclobutanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S,4R)-1-(1-fluorocyclobutanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[(3S,4R)-1-(1-fluorocyclobutanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide is CS(=O)(=O)N[C@@H]1CCN(C(=O)C2(F)CCC2)C[C@@H]1OCC1CCC(c2ccccc2)CC1.
What is the InChIKey of N-[(3S,4R)-1-(1-fluorocyclobutanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide?
The InChIKey is WOXYBHZVPYAPOT-HRAFCDAUSA-N. The full InChI is InChI=1S/C24H35FN2O4S/c1-32(29,30)26-21-12-15-27(23(28)24(25)13-5-14-24)16-22(21)31-17-18-8-10-20(11-9-18)19-6-3-2-4-7-19/h2-4,6-7,18,20-22,26H,5,8-17H2,1H3/t18?,20?,21-,22+/m1/s1.
What are the key properties of N-[(3S,4R)-1-(1-fluorocyclobutanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide?
N-[(3S,4R)-1-(1-fluorocyclobutanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide has a molecular weight of 466.62 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-(1-fluorocyclobutanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 176822176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).