methyl 4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)sulfonylmethyl]piperidine-4-carboxylate

C19H26N2O4S — CID 69380586

IUPACmethyl 4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)sulfonylmethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1(CS(=O)(=O)C2CC(c3ccccc3)=CCN2)CCNCC1
InChIInChI=1S/C19H26N2O4S/c1-25-18(22)19(8-11-20-12-9-19)14-26(23,24)17-13-16(7-10-21-17)15-5-3-2-4-6-15/h2-7,17,20-21H,8-14H2,1H3
InChIKeyKUNMRXUZPOHZNE-UHFFFAOYSA-N
MW378.49 g/mol
LogP1.35
Rot. Bonds5

About methyl 4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)sulfonylmethyl]piperidine-4-carboxylate

methyl 4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)sulfonylmethyl]piperidine-4-carboxylate (PubChem CID 69380586) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is methyl 4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)sulfonylmethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)sulfonylmethyl]piperidine-4-carboxylate
PubChem CID69380586
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Namemethyl 4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)sulfonylmethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1(CS(=O)(=O)C2CC(c3ccccc3)=CCN2)CCNCC1
InChIInChI=1S/C19H26N2O4S/c1-25-18(22)19(8-11-20-12-9-19)14-26(23,24)17-13-16(7-10-21-17)15-5-3-2-4-6-15/h2-7,17,20-21H,8-14H2,1H3
InChIKeyKUNMRXUZPOHZNE-UHFFFAOYSA-N
XLogP1.35
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)sulfonylmethyl]piperidine-4-carboxylate with MolForge

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Related Compounds

methyl 4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)sulfonylmethyl]-1-[4-(trifluoromethoxy)benzoyl]piperidine-4-carboxylate
CID 69380948
methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-4-carboxylate
CID 131866293
methyl 3-(methylsulfonylmethyl)pyrrolidine-3-carboxylate
CID 167723601
N-benzyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616012
(1-methylpyrrolidin-3-yl) 4-(hydroxycarbamoyl)-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonylmethyl]piperidine-1-carboxylate
CID 11684846
dimethyl 2-benzylpiperidine-4,4-dicarboxylate
CID 162768511
methyl 4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate
CID 71158967
4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 120617692
dimethyl 2,4-diphenylcyclopent-3-ene-1,1-dicarboxylate
CID 71745981
[4-(benzenesulfonyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
CID 120616987
methyl 1-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoylmethyl)cyclopropane-1-carboxylate
CID 126823488
4-(methoxymethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120618086

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)sulfonylmethyl]piperidine-4-carboxylate?
The IUPAC name of methyl 4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)sulfonylmethyl]piperidine-4-carboxylate (CID 69380586) is methyl 4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)sulfonylmethyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)sulfonylmethyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)sulfonylmethyl]piperidine-4-carboxylate is COC(=O)C1(CS(=O)(=O)C2CC(c3ccccc3)=CCN2)CCNCC1.
What is the InChIKey of methyl 4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)sulfonylmethyl]piperidine-4-carboxylate?
The InChIKey is KUNMRXUZPOHZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-25-18(22)19(8-11-20-12-9-19)14-26(23,24)17-13-16(7-10-21-17)15-5-3-2-4-6-15/h2-7,17,20-21H,8-14H2,1H3.
What are the key properties of methyl 4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)sulfonylmethyl]piperidine-4-carboxylate?
methyl 4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)sulfonylmethyl]piperidine-4-carboxylate has a molecular weight of 378.49 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)sulfonylmethyl]piperidine-4-carboxylate is sourced from PubChem (CID 69380586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).