N-[(3R)-1-(4-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide

C25H35N3O3S — CID 167125912

IUPACN-[(3R)-1-(4-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide
SMILESCc1ccnc(N2CCC(NS(C)(=O)=O)[C@H](COC3CCC(c4ccccc4)CC3)C2)c1
InChIInChI=1S/C25H35N3O3S/c1-19-12-14-26-25(16-19)28-15-13-24(27-32(2,29)30)22(17-28)18-31-23-10-8-21(9-11-23)20-6-4-3-5-7-20/h3-7,12,14,16,21-24,27H,8-11,13,15,17-18H2,1-2H3/t21?,22-,23?,24?/m0/s1
InChIKeyOTUQKWGIHHGAAS-REDCPHJYSA-N
MW457.64 g/mol
LogP3.88
Rot. Bonds7

About N-[(3R)-1-(4-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide

N-[(3R)-1-(4-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide (PubChem CID 167125912) has the molecular formula C25H35N3O3S and a molecular weight of 457.64 g/mol. Its IUPAC name is N-[(3R)-1-(4-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-(4-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide
PubChem CID167125912
Molecular FormulaC25H35N3O3S
Molecular Weight457.64 g/mol
Exact Mass457.24
IUPAC NameN-[(3R)-1-(4-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide
SMILESCc1ccnc(N2CCC(NS(C)(=O)=O)[C@H](COC3CCC(c4ccccc4)CC3)C2)c1
InChIInChI=1S/C25H35N3O3S/c1-19-12-14-26-25(16-19)28-15-13-24(27-32(2,29)30)22(17-28)18-31-23-10-8-21(9-11-23)20-6-4-3-5-7-20/h3-7,12,14,16,21-24,27H,8-11,13,15,17-18H2,1-2H3/t21?,22-,23?,24?/m0/s1
InChIKeyOTUQKWGIHHGAAS-REDCPHJYSA-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

Analyze N-[(3R)-1-(4-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide with MolForge

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Related Compounds

N-[3-[[4-(3-methylphenyl)cyclohexyl]oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide
CID 167125804
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-[(4S)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide
CID 164799406
N-[(3R,4S)-1-pyridin-2-yl-3-[(1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl]piperidin-4-yl]methanesulfonamide
CID 167125764
N-[(2R,3S)-1-[4-(dimethylamino)-2-pyridinyl]-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide
CID 157186853
N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-[(1S)-1-phenylethyl]piperidin-4-yl]methanesulfonamide
CID 164799393
N-[3-[(4-phenylcyclohexyl)oxymethyl]-1-[(1R)-1-phenylethyl]piperidin-4-yl]methanesulfonamide
CID 167125913
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-[(3R)-3-[(4-phenylcyclohexyl)oxymethyl]-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 167125819
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

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(4-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[(3R)-1-(4-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide (CID 167125912) is N-[(3R)-1-(4-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R)-1-(4-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[(3R)-1-(4-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide is Cc1ccnc(N2CCC(NS(C)(=O)=O)[C@H](COC3CCC(c4ccccc4)CC3)C2)c1.
What is the InChIKey of N-[(3R)-1-(4-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is OTUQKWGIHHGAAS-REDCPHJYSA-N. The full InChI is InChI=1S/C25H35N3O3S/c1-19-12-14-26-25(16-19)28-15-13-24(27-32(2,29)30)22(17-28)18-31-23-10-8-21(9-11-23)20-6-4-3-5-7-20/h3-7,12,14,16,21-24,27H,8-11,13,15,17-18H2,1-2H3/t21?,22-,23?,24?/m0/s1.
What are the key properties of N-[(3R)-1-(4-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide?
N-[(3R)-1-(4-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-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-[(3R)-1-(4-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 167125912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).