N-[3-[[4-(3-methylphenyl)cyclohexyl]oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide

C25H35N3O3S — CID 167125804

IUPACN-[3-[[4-(3-methylphenyl)cyclohexyl]oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide
SMILESCc1cccc(C2CCC(OCC3CN(c4ccccn4)CCC3NS(C)(=O)=O)CC2)c1
InChIInChI=1S/C25H35N3O3S/c1-19-6-5-7-21(16-19)20-9-11-23(12-10-20)31-18-22-17-28(25-8-3-4-14-26-25)15-13-24(22)27-32(2,29)30/h3-8,14,16,20,22-24,27H,9-13,15,17-18H2,1-2H3
InChIKeyJRBKARMLEQKOKK-UHFFFAOYSA-N
MW457.64 g/mol
LogP3.88
Rot. Bonds7

About N-[3-[[4-(3-methylphenyl)cyclohexyl]oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide

N-[3-[[4-(3-methylphenyl)cyclohexyl]oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide (PubChem CID 167125804) has the molecular formula C25H35N3O3S and a molecular weight of 457.64 g/mol. Its IUPAC name is N-[3-[[4-(3-methylphenyl)cyclohexyl]oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[4-(3-methylphenyl)cyclohexyl]oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide
PubChem CID167125804
Molecular FormulaC25H35N3O3S
Molecular Weight457.64 g/mol
Exact Mass457.24
IUPAC NameN-[3-[[4-(3-methylphenyl)cyclohexyl]oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide
SMILESCc1cccc(C2CCC(OCC3CN(c4ccccn4)CCC3NS(C)(=O)=O)CC2)c1
InChIInChI=1S/C25H35N3O3S/c1-19-6-5-7-21(16-19)20-9-11-23(12-10-20)31-18-22-17-28(25-8-3-4-14-26-25)15-13-24(22)27-32(2,29)30/h3-8,14,16,20,22-24,27H,9-13,15,17-18H2,1-2H3
InChIKeyJRBKARMLEQKOKK-UHFFFAOYSA-N
XLogP3.88
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.64
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4S)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide
CID 164799406
N-[(3R)-1-(4-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide
CID 167125912
N-[(3R,4S)-1-pyridin-2-yl-3-[(1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl]piperidin-4-yl]methanesulfonamide
CID 167125764
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
2-hydroxy-N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]ethanesulfonamide;N-[(4S)-1-(5-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-1-(6-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-3-ylpiperidin-4-yl]methanesulfonamide
CID 165040946
N-[(4S)-1-(3-fluoro-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(3R,4S)-3-methyl-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide;bis(N-[(4S)-1-(3-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide)
CID 165081558
(4S)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]-N-(methylsulfamoyl)-1-pyridazin-3-ylpiperidin-4-amine
CID 176822259
(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
N-[(3R,4S)-3-[[4-(3-methylbenzimidazol-5-yl)cyclohexyl]methoxy]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide
CID 170638740
3-[(3R,4S)-4-[[cyclopropyl(methyl)sulfamoyl]amino]-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-1-yl]pyridazine
CID 170638345

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(3-methylphenyl)cyclohexyl]oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[3-[[4-(3-methylphenyl)cyclohexyl]oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide (CID 167125804) is N-[3-[[4-(3-methylphenyl)cyclohexyl]oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[3-[[4-(3-methylphenyl)cyclohexyl]oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[3-[[4-(3-methylphenyl)cyclohexyl]oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide is Cc1cccc(C2CCC(OCC3CN(c4ccccn4)CCC3NS(C)(=O)=O)CC2)c1.
What is the InChIKey of N-[3-[[4-(3-methylphenyl)cyclohexyl]oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide?
The InChIKey is JRBKARMLEQKOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3S/c1-19-6-5-7-21(16-19)20-9-11-23(12-10-20)31-18-22-17-28(25-8-3-4-14-26-25)15-13-24(22)27-32(2,29)30/h3-8,14,16,20,22-24,27H,9-13,15,17-18H2,1-2H3.
What are the key properties of N-[3-[[4-(3-methylphenyl)cyclohexyl]oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide?
N-[3-[[4-(3-methylphenyl)cyclohexyl]oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide has a molecular weight of 457.64 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(3-methylphenyl)cyclohexyl]oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 167125804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).