methyl 4-(4-phenylmethoxypiperidin-1-yl)sulfonyloxane-4-carboxylate

C19H27NO6S — CID 18723313

IUPACmethyl 4-(4-phenylmethoxypiperidin-1-yl)sulfonyloxane-4-carboxylate
SMILESCOC(=O)C1(S(=O)(=O)N2CCC(OCc3ccccc3)CC2)CCOCC1
InChIInChI=1S/C19H27NO6S/c1-24-18(21)19(9-13-25-14-10-19)27(22,23)20-11-7-17(8-12-20)26-15-16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3
InChIKeyDSSMEUSPVDJNFV-UHFFFAOYSA-N
MW397.49 g/mol
LogP1.72
Rot. Bonds6

About methyl 4-(4-phenylmethoxypiperidin-1-yl)sulfonyloxane-4-carboxylate

methyl 4-(4-phenylmethoxypiperidin-1-yl)sulfonyloxane-4-carboxylate (PubChem CID 18723313) has the molecular formula C19H27NO6S and a molecular weight of 397.49 g/mol. Its IUPAC name is methyl 4-(4-phenylmethoxypiperidin-1-yl)sulfonyloxane-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-phenylmethoxypiperidin-1-yl)sulfonyloxane-4-carboxylate
PubChem CID18723313
Molecular FormulaC19H27NO6S
Molecular Weight397.49 g/mol
Exact Mass397.16
IUPAC Namemethyl 4-(4-phenylmethoxypiperidin-1-yl)sulfonyloxane-4-carboxylate
SMILESCOC(=O)C1(S(=O)(=O)N2CCC(OCc3ccccc3)CC2)CCOCC1
InChIInChI=1S/C19H27NO6S/c1-24-18(21)19(9-13-25-14-10-19)27(22,23)20-11-7-17(8-12-20)26-15-16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3
InChIKeyDSSMEUSPVDJNFV-UHFFFAOYSA-N
XLogP1.72
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-(4-phenylmethoxypiperidin-1-yl)sulfonyloxane-4-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

methyl 2-(4-phenylmethoxypiperidin-1-yl)sulfonylbenzoate
CID 51278510
4-phenylmethoxypiperidine-1-sulfonic acid
CID 174878483
4-phenylmethoxyoxane
CID 66554133
N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfonyloxane-4-carbaldehyde
CID 142009718
methyl 2-(4-phenylmethoxypiperidin-1-yl)benzoate
CID 139942928
ethyl 3-bromo-4-(4-phenylmethoxypiperidin-1-yl)sulfonylbenzoate
CID 55565725
[(3S)-oxolan-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 95272421
methyl (2R,8R)-2-phenylmethoxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
CID 164890666
N-[(1-acetylpiperidin-4-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide
CID 136524004
N-hydroxy-4-[4-(6,6,7,7,7-pentafluoroheptoxy)piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 21069077
[4-(methoxymethyl)piperidin-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 120619182

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-phenylmethoxypiperidin-1-yl)sulfonyloxane-4-carboxylate?
The IUPAC name of methyl 4-(4-phenylmethoxypiperidin-1-yl)sulfonyloxane-4-carboxylate (CID 18723313) is methyl 4-(4-phenylmethoxypiperidin-1-yl)sulfonyloxane-4-carboxylate.
What is the SMILES notation for methyl 4-(4-phenylmethoxypiperidin-1-yl)sulfonyloxane-4-carboxylate?
The canonical SMILES for methyl 4-(4-phenylmethoxypiperidin-1-yl)sulfonyloxane-4-carboxylate is COC(=O)C1(S(=O)(=O)N2CCC(OCc3ccccc3)CC2)CCOCC1.
What is the InChIKey of methyl 4-(4-phenylmethoxypiperidin-1-yl)sulfonyloxane-4-carboxylate?
The InChIKey is DSSMEUSPVDJNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO6S/c1-24-18(21)19(9-13-25-14-10-19)27(22,23)20-11-7-17(8-12-20)26-15-16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3.
What are the key properties of methyl 4-(4-phenylmethoxypiperidin-1-yl)sulfonyloxane-4-carboxylate?
methyl 4-(4-phenylmethoxypiperidin-1-yl)sulfonyloxane-4-carboxylate has a molecular weight of 397.49 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-phenylmethoxypiperidin-1-yl)sulfonyloxane-4-carboxylate is sourced from PubChem (CID 18723313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).