methyl 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]piperidine-4-carboxylate

C26H32ClNO7S — CID 59081069

IUPACmethyl 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]piperidine-4-carboxylate
SMILESCOC(=O)C1(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCN(CCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C26H32ClNO7S/c1-25(2,3)35-23(29)13-16-28-17-14-26(15-18-28,24(30)33-4)36(31,32)22-11-9-21(10-12-22)34-20-7-5-19(27)6-8-20/h5-12H,13-18H2,1-4H3
InChIKeyMAQBCTFDYXJVMF-UHFFFAOYSA-N
MW538.06 g/mol
LogP4.65
Rot. Bonds8

About methyl 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]piperidine-4-carboxylate

methyl 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]piperidine-4-carboxylate (PubChem CID 59081069) has the molecular formula C26H32ClNO7S and a molecular weight of 538.06 g/mol. Its IUPAC name is methyl 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]piperidine-4-carboxylate
PubChem CID59081069
Molecular FormulaC26H32ClNO7S
Molecular Weight538.06 g/mol
Exact Mass537.16
IUPAC Namemethyl 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]piperidine-4-carboxylate
SMILESCOC(=O)C1(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCN(CCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C26H32ClNO7S/c1-25(2,3)35-23(29)13-16-28-17-14-26(15-18-28,24(30)33-4)36(31,32)22-11-9-21(10-12-22)34-20-7-5-19(27)6-8-20/h5-12H,13-18H2,1-4H3
InChIKeyMAQBCTFDYXJVMF-UHFFFAOYSA-N
XLogP4.65
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.06
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]piperidine-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

4-(4-(4-chlorophenoxy)phenylsulfonyl)-1-ethyl-N-hydroxypiperidine-4-carboxamide
CID 9803207
1-butyl-4-(4-(4-chlorophenoxy)phenylsulfonyl)-N-hydroxypiperidine-4-carboxamide
CID 9890733
4-(4-(4-chlorophenoxy)phenylsulfonyl)-N-hydroxy-1-methylpiperidine-4-carboxamide
CID 9932167
4-(4-(4-chlorophenoxy)phenylsulfonyl)-N-hydroxypiperidine-4-carboxamide
CID 10938505
4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide
CID 45484023
1-acetyl-4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
CID 45484025
4-[4-(4-Chlorophenoxy)benzenesulfonyl]-1-benzylpiperidine-4-carboxylic acid
CID 11733621
(4-Chlorophenyl) 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 24397501
(4-Chlorophenyl) 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 24513481
2-(4-Chlorophenoxy)ethyl 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 29634479
2-(4-Chlorophenoxy)ethyl 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 32096868
3-(4-Chlorophenoxy)propyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 34778496

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]piperidine-4-carboxylate?
The IUPAC name of methyl 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]piperidine-4-carboxylate (CID 59081069) is methyl 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]piperidine-4-carboxylate is COC(=O)C1(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCN(CCC(=O)OC(C)(C)C)CC1.
What is the InChIKey of methyl 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]piperidine-4-carboxylate?
The InChIKey is MAQBCTFDYXJVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClNO7S/c1-25(2,3)35-23(29)13-16-28-17-14-26(15-18-28,24(30)33-4)36(31,32)22-11-9-21(10-12-22)34-20-7-5-19(27)6-8-20/h5-12H,13-18H2,1-4H3.
What are the key properties of methyl 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]piperidine-4-carboxylate?
methyl 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]piperidine-4-carboxylate has a molecular weight of 538.06 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]piperidine-4-carboxylate is sourced from PubChem (CID 59081069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).