N-[3-[(4-phenylcyclohexyl)oxymethyl]-1-[(1R)-1-phenylethyl]piperidin-4-yl]methanesulfonamide

C27H38N2O3S — CID 167125913

IUPACN-[3-[(4-phenylcyclohexyl)oxymethyl]-1-[(1R)-1-phenylethyl]piperidin-4-yl]methanesulfonamide
SMILESC[C@H](c1ccccc1)N1CCC(NS(C)(=O)=O)C(COC2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C27H38N2O3S/c1-21(22-9-5-3-6-10-22)29-18-17-27(28-33(2,30)31)25(19-29)20-32-26-15-13-24(14-16-26)23-11-7-4-8-12-23/h3-12,21,24-28H,13-20H2,1-2H3/t21-,24?,25?,26?,27?/m1/s1
InChIKeyLPHSFBIBIOXHOZ-OHPUSTGISA-N
MW470.68 g/mol
LogP4.73
Rot. Bonds8

About N-[3-[(4-phenylcyclohexyl)oxymethyl]-1-[(1R)-1-phenylethyl]piperidin-4-yl]methanesulfonamide

N-[3-[(4-phenylcyclohexyl)oxymethyl]-1-[(1R)-1-phenylethyl]piperidin-4-yl]methanesulfonamide (PubChem CID 167125913) has the molecular formula C27H38N2O3S and a molecular weight of 470.68 g/mol. Its IUPAC name is N-[3-[(4-phenylcyclohexyl)oxymethyl]-1-[(1R)-1-phenylethyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(4-phenylcyclohexyl)oxymethyl]-1-[(1R)-1-phenylethyl]piperidin-4-yl]methanesulfonamide
PubChem CID167125913
Molecular FormulaC27H38N2O3S
Molecular Weight470.68 g/mol
Exact Mass470.26
IUPAC NameN-[3-[(4-phenylcyclohexyl)oxymethyl]-1-[(1R)-1-phenylethyl]piperidin-4-yl]methanesulfonamide
SMILESC[C@H](c1ccccc1)N1CCC(NS(C)(=O)=O)C(COC2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C27H38N2O3S/c1-21(22-9-5-3-6-10-22)29-18-17-27(28-33(2,30)31)25(19-29)20-32-26-15-13-24(14-16-26)23-11-7-4-8-12-23/h3-12,21,24-28H,13-20H2,1-2H3/t21-,24?,25?,26?,27?/m1/s1
InChIKeyLPHSFBIBIOXHOZ-OHPUSTGISA-N
XLogP4.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.68
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-[(1S)-1-phenylethyl]piperidin-4-yl]methanesulfonamide
CID 164799393
N-[(3R,4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyrimidin-2-ylpiperidin-4-yl]methanesulfonamide
CID 167125884
N-[(3R)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridazin-3-ylpiperidin-4-yl]methanesulfonamide
CID 167125922
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
N-[(2R,3S)-1-methyl-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide
CID 154681368
N-[(3R)-3-[(4-phenylcyclohexyl)oxymethyl]-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 167125819
N-[(3R)-1-(4-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide
CID 167125912
3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylic acid
CID 172784142
N-[(3S)-1-(1-methyl-1,2,4-triazol-3-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide
CID 166587250
N-[(2R,3S)-1-(2-hydroxypropanoyl)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide
CID 146472024
N-[3-[[4-(3-methylphenyl)cyclohexyl]oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide
CID 167125804

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-phenylcyclohexyl)oxymethyl]-1-[(1R)-1-phenylethyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[3-[(4-phenylcyclohexyl)oxymethyl]-1-[(1R)-1-phenylethyl]piperidin-4-yl]methanesulfonamide (CID 167125913) is N-[3-[(4-phenylcyclohexyl)oxymethyl]-1-[(1R)-1-phenylethyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[3-[(4-phenylcyclohexyl)oxymethyl]-1-[(1R)-1-phenylethyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[3-[(4-phenylcyclohexyl)oxymethyl]-1-[(1R)-1-phenylethyl]piperidin-4-yl]methanesulfonamide is C[C@H](c1ccccc1)N1CCC(NS(C)(=O)=O)C(COC2CCC(c3ccccc3)CC2)C1.
What is the InChIKey of N-[3-[(4-phenylcyclohexyl)oxymethyl]-1-[(1R)-1-phenylethyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is LPHSFBIBIOXHOZ-OHPUSTGISA-N. The full InChI is InChI=1S/C27H38N2O3S/c1-21(22-9-5-3-6-10-22)29-18-17-27(28-33(2,30)31)25(19-29)20-32-26-15-13-24(14-16-26)23-11-7-4-8-12-23/h3-12,21,24-28H,13-20H2,1-2H3/t21-,24?,25?,26?,27?/m1/s1.
What are the key properties of N-[3-[(4-phenylcyclohexyl)oxymethyl]-1-[(1R)-1-phenylethyl]piperidin-4-yl]methanesulfonamide?
N-[3-[(4-phenylcyclohexyl)oxymethyl]-1-[(1R)-1-phenylethyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 470.68 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-phenylcyclohexyl)oxymethyl]-1-[(1R)-1-phenylethyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 167125913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).