methyl 1-[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-4-carboxylate

C19H25ClN2O7S — CID 3369754

IUPACmethyl 1-[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1
InChIInChI=1S/C19H25ClN2O7S/c1-27-19(24)14-4-6-21(7-5-14)18(23)13-29-17-3-2-15(12-16(17)20)30(25,26)22-8-10-28-11-9-22/h2-3,12,14H,4-11,13H2,1H3
InChIKeyWQZSSVPJBQLXCA-UHFFFAOYSA-N
MW460.94 g/mol
LogP1.15
Rot. Bonds6

About methyl 1-[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-4-carboxylate

methyl 1-[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-4-carboxylate (PubChem CID 3369754) has the molecular formula C19H25ClN2O7S and a molecular weight of 460.94 g/mol. Its IUPAC name is methyl 1-[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-4-carboxylate
PubChem CID3369754
Molecular FormulaC19H25ClN2O7S
Molecular Weight460.94 g/mol
Exact Mass460.11
IUPAC Namemethyl 1-[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1
InChIInChI=1S/C19H25ClN2O7S/c1-27-19(24)14-4-6-21(7-5-14)18(23)13-29-17-3-2-15(12-16(17)20)30(25,26)22-8-10-28-11-9-22/h2-3,12,14H,4-11,13H2,1H3
InChIKeyWQZSSVPJBQLXCA-UHFFFAOYSA-N
XLogP1.15
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.94
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-4-carboxylate (CID 3369754) is methyl 1-[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1.
What is the InChIKey of methyl 1-[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-4-carboxylate?
The InChIKey is WQZSSVPJBQLXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O7S/c1-27-19(24)14-4-6-21(7-5-14)18(23)13-29-17-3-2-15(12-16(17)20)30(25,26)22-8-10-28-11-9-22/h2-3,12,14H,4-11,13H2,1H3.
What are the key properties of methyl 1-[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-4-carboxylate?
methyl 1-[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-4-carboxylate has a molecular weight of 460.94 g/mol, XLogP of 1.15, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 3369754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).