N-[(3R,4S)-3-[[4-(3-methylbenzimidazol-5-yl)cyclohexyl]methoxy]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide

C26H35N5O3S — CID 170638740

IUPACN-[(3R,4S)-3-[[4-(3-methylbenzimidazol-5-yl)cyclohexyl]methoxy]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide
SMILESCn1cnc2ccc(C3CCC(CO[C@@H]4CN(c5ccccn5)CC[C@@H]4NS(C)(=O)=O)CC3)cc21
InChIInChI=1S/C26H35N5O3S/c1-30-18-28-22-11-10-21(15-24(22)30)20-8-6-19(7-9-20)17-34-25-16-31(26-5-3-4-13-27-26)14-12-23(25)29-35(2,32)33/h3-5,10-11,13,15,18-20,23,25,29H,6-9,12,14,16-17H2,1-2H3/t19?,20?,23-,25+/m0/s1
InChIKeyXNFDKRDFFLIDAU-ONHKWDPESA-N
MW497.67 g/mol
LogP3.46
Rot. Bonds7

About N-[(3R,4S)-3-[[4-(3-methylbenzimidazol-5-yl)cyclohexyl]methoxy]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide

N-[(3R,4S)-3-[[4-(3-methylbenzimidazol-5-yl)cyclohexyl]methoxy]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide (PubChem CID 170638740) has the molecular formula C26H35N5O3S and a molecular weight of 497.67 g/mol. Its IUPAC name is N-[(3R,4S)-3-[[4-(3-methylbenzimidazol-5-yl)cyclohexyl]methoxy]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-[[4-(3-methylbenzimidazol-5-yl)cyclohexyl]methoxy]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide
PubChem CID170638740
Molecular FormulaC26H35N5O3S
Molecular Weight497.67 g/mol
Exact Mass497.25
IUPAC NameN-[(3R,4S)-3-[[4-(3-methylbenzimidazol-5-yl)cyclohexyl]methoxy]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide
SMILESCn1cnc2ccc(C3CCC(CO[C@@H]4CN(c5ccccn5)CC[C@@H]4NS(C)(=O)=O)CC3)cc21
InChIInChI=1S/C26H35N5O3S/c1-30-18-28-22-11-10-21(15-24(22)30)20-8-6-19(7-9-20)17-34-25-16-31(26-5-3-4-13-27-26)14-12-23(25)29-35(2,32)33/h3-5,10-11,13,15,18-20,23,25,29H,6-9,12,14,16-17H2,1-2H3/t19?,20?,23-,25+/m0/s1
InChIKeyXNFDKRDFFLIDAU-ONHKWDPESA-N
XLogP3.46
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.67
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3R,4S)-3-[[4-(3-methylbenzimidazol-5-yl)cyclohexyl]methoxy]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S,4R)-1-(1-methylimidazol-4-yl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide
CID 176822211
N-[3-[[4-(3-methylphenyl)cyclohexyl]oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide
CID 167125804
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
methyl (3R,4S)-4-(methanesulfonamido)-3-[[4-(1-methylindazol-5-yl)cyclohexyl]methoxy]piperidine-1-carboxylate
CID 170638731
N-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide
CID 170638795
N-[(3R,4S)-3-[[4-(3-fluorophenyl)cyclohexyl]methoxy]-1-pyridazin-3-ylpiperidin-4-yl]pyrrolidine-1-sulfonamide
CID 176822178
3-(dimethylamino)-N-[(3R,4S)-3-[[4-(3-fluorophenyl)cyclohexyl]methoxy]-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide
CID 176822217
N-[(3R)-1-(4-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide
CID 167125912
N-[(3S,4R)-1-[(1-fluorocyclobutyl)methyl]-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide
CID 176822202
N-[(3R,4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyrimidin-2-ylpiperidin-4-yl]methanesulfonamide
CID 167125884
N-[(3S,4R)-1-(1-fluorocyclobutanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide
CID 176822176

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-[[4-(3-methylbenzimidazol-5-yl)cyclohexyl]methoxy]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[(3R,4S)-3-[[4-(3-methylbenzimidazol-5-yl)cyclohexyl]methoxy]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide (CID 170638740) is N-[(3R,4S)-3-[[4-(3-methylbenzimidazol-5-yl)cyclohexyl]methoxy]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R,4S)-3-[[4-(3-methylbenzimidazol-5-yl)cyclohexyl]methoxy]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[(3R,4S)-3-[[4-(3-methylbenzimidazol-5-yl)cyclohexyl]methoxy]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide is Cn1cnc2ccc(C3CCC(CO[C@@H]4CN(c5ccccn5)CC[C@@H]4NS(C)(=O)=O)CC3)cc21.
What is the InChIKey of N-[(3R,4S)-3-[[4-(3-methylbenzimidazol-5-yl)cyclohexyl]methoxy]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide?
The InChIKey is XNFDKRDFFLIDAU-ONHKWDPESA-N. The full InChI is InChI=1S/C26H35N5O3S/c1-30-18-28-22-11-10-21(15-24(22)30)20-8-6-19(7-9-20)17-34-25-16-31(26-5-3-4-13-27-26)14-12-23(25)29-35(2,32)33/h3-5,10-11,13,15,18-20,23,25,29H,6-9,12,14,16-17H2,1-2H3/t19?,20?,23-,25+/m0/s1.
What are the key properties of N-[(3R,4S)-3-[[4-(3-methylbenzimidazol-5-yl)cyclohexyl]methoxy]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide?
N-[(3R,4S)-3-[[4-(3-methylbenzimidazol-5-yl)cyclohexyl]methoxy]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide has a molecular weight of 497.67 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-[[4-(3-methylbenzimidazol-5-yl)cyclohexyl]methoxy]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 170638740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).