propan-2-yl 4-[[4-(4-methylsulfonylphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate

C23H35NO5S — CID 66556122

IUPACpropan-2-yl 4-[[4-(4-methylsulfonylphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(COC2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)CC1
InChIInChI=1S/C23H35NO5S/c1-17(2)29-23(25)24-14-12-18(13-15-24)16-28-21-8-4-19(5-9-21)20-6-10-22(11-7-20)30(3,26)27/h6-7,10-11,17-19,21H,4-5,8-9,12-16H2,1-3H3
InChIKeyYMVATAVELVHCCW-UHFFFAOYSA-N
MW437.60 g/mol
LogP4.39
Rot. Bonds6

About propan-2-yl 4-[[4-(4-methylsulfonylphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate

propan-2-yl 4-[[4-(4-methylsulfonylphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate (PubChem CID 66556122) has the molecular formula C23H35NO5S and a molecular weight of 437.60 g/mol. Its IUPAC name is propan-2-yl 4-[[4-(4-methylsulfonylphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[[4-(4-methylsulfonylphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate
PubChem CID66556122
Molecular FormulaC23H35NO5S
Molecular Weight437.60 g/mol
Exact Mass437.22
IUPAC Namepropan-2-yl 4-[[4-(4-methylsulfonylphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(COC2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)CC1
InChIInChI=1S/C23H35NO5S/c1-17(2)29-23(25)24-14-12-18(13-15-24)16-28-21-8-4-19(5-9-21)20-6-10-22(11-7-20)30(3,26)27/h6-7,10-11,17-19,21H,4-5,8-9,12-16H2,1-3H3
InChIKeyYMVATAVELVHCCW-UHFFFAOYSA-N
XLogP4.39
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.60
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 4-[[4-(4-methylsulfonylphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate 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

Tert-butyl 4-((4-(4-(methylthio)phenyl)cyclohexyloxy)methyl)piperidine-1-carboxylate
CID 66554587
tert-Butyl 4-((4-(4-(Methylsulfonyl)phenyl)cyclohexyloxy)methyl)piperidine-1-carboxylate
CID 66556121
tert-Butyl 4-((4-(2-Fluoro-4-(methylsulfonyl)phenyl)cyclohexyloxy)methyl)piperidine-1-carboxylate
CID 66556297
Propan-2-yl 4-[[4-(2-fluoro-4-methylsulfonylphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate
CID 68385332
Ethyl 4-(benzenesulfonyl)-4-phenylpiperidine-1-carboxylate
CID 44391487
4-[4-(3-Fluoro-4-methylsulfanylphenyl)-1-hydroxybutyl]piperidine-1-carboxylic acid tert-butyl ester
CID 16036088
Tert-butyl 4-fluoro-4-[3-(4-methylphenyl)sulfonyloxy-1-phenylpropyl]piperidine-1-carboxylate
CID 18794731
Tert-butyl 4-fluoro-4-[3-(4-methylphenyl)sulfonyloxy-2-phenylpropyl]piperidine-1-carboxylate
CID 53727774
Tert-butyl 4-(4-fluorophenyl)-3-[(4-methylsulfonylphenyl)methoxy]piperidine-1-carboxylate
CID 53939505
Tert-butyl 4-[4-(3-fluoro-4-methylsulfonylphenyl)butyl]piperidine-1-carboxylate
CID 59233992
Tert-butyl 4-[4-(3-fluoro-4-methylsulfinylphenyl)-1-methoxybutyl]piperidine-1-carboxylate
CID 59234044
Tert-butyl 4-[4-(3-fluoro-4-methylsulfinylphenyl)-1-hydroxybutyl]piperidine-1-carboxylate
CID 59234077

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[4-(4-methylsulfonylphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[[4-(4-methylsulfonylphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate (CID 66556122) is propan-2-yl 4-[[4-(4-methylsulfonylphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[[4-(4-methylsulfonylphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[[4-(4-methylsulfonylphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate is CC(C)OC(=O)N1CCC(COC2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)CC1.
What is the InChIKey of propan-2-yl 4-[[4-(4-methylsulfonylphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate?
The InChIKey is YMVATAVELVHCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO5S/c1-17(2)29-23(25)24-14-12-18(13-15-24)16-28-21-8-4-19(5-9-21)20-6-10-22(11-7-20)30(3,26)27/h6-7,10-11,17-19,21H,4-5,8-9,12-16H2,1-3H3.
What are the key properties of propan-2-yl 4-[[4-(4-methylsulfonylphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate?
propan-2-yl 4-[[4-(4-methylsulfonylphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate has a molecular weight of 437.60 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[4-(4-methylsulfonylphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 66556122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).