ethyl 1-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-3-carboxylate

C20H28N2O7S — CID 4095236

IUPACethyl 1-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1
InChIInChI=1S/C20H28N2O7S/c1-2-28-20(24)16-4-3-9-21(14-16)19(23)15-29-17-5-7-18(8-6-17)30(25,26)22-10-12-27-13-11-22/h5-8,16H,2-4,9-15H2,1H3
InChIKeyKAKWEIYNJKBCOI-UHFFFAOYSA-N
MW440.52 g/mol
LogP0.89
Rot. Bonds7

About ethyl 1-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-3-carboxylate

ethyl 1-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-3-carboxylate (PubChem CID 4095236) has the molecular formula C20H28N2O7S and a molecular weight of 440.52 g/mol. Its IUPAC name is ethyl 1-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-3-carboxylate
PubChem CID4095236
Molecular FormulaC20H28N2O7S
Molecular Weight440.52 g/mol
Exact Mass440.16
IUPAC Nameethyl 1-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1
InChIInChI=1S/C20H28N2O7S/c1-2-28-20(24)16-4-3-9-21(14-16)19(23)15-29-17-5-7-18(8-6-17)30(25,26)22-10-12-27-13-11-22/h5-8,16H,2-4,9-15H2,1H3
InChIKeyKAKWEIYNJKBCOI-UHFFFAOYSA-N
XLogP0.89
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-Piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone
CID 6459962
Ethyl 1-({4-[(isopropylamino)sulfonyl]phenoxy}acetyl)-4-piperidinecarboxylate
CID 1084699
1-{[4-(1-Piperidinylsulfonyl)phenoxy]acetyl}azepane
CID 2240997
1-{[4-(4-Morpholinylsulfonyl)phenoxy]acetyl}azepane
CID 2320124
Ethyl 1-[(4-methoxyphenyl)sulfonyl]piperidine-3-carboxylate
CID 2904830
Ethyl 1-({4-[(tert-butylamino)sulfonyl]phenoxy}acetyl)-4-piperidinecarboxylate
CID 2950439
Ethyl 1-{[2-methyl-4-(1-pyrrolidinylsulfonyl)phenoxy]acetyl}-4-piperidinecarboxylate
CID 2971625
[1-(2,5-Dimethoxy-benzenesulfonyl)-piperidin-3-yl]-morpholin-4-yl-methanone
CID 2984873
Ethyl 4-({1-[(4-ethoxyphenyl)sulfonyl]piperidin-3-yl}carbonyl)piperazine-1-carboxylate
CID 2989187
[1-(4-Ethoxy-3-methyl-benzenesulfonyl)-piperidin-4-yl]-morpholin-4-yl-methanone
CID 3162879
Ethyl 1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylate
CID 5019386
4-({1-[(4-Ethoxy-3-methylphenyl)sulfonyl]-3-piperidinyl}carbonyl)morpholine
CID 24794326

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-3-carboxylate (CID 4095236) is ethyl 1-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1.
What is the InChIKey of ethyl 1-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-3-carboxylate?
The InChIKey is KAKWEIYNJKBCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O7S/c1-2-28-20(24)16-4-3-9-21(14-16)19(23)15-29-17-5-7-18(8-6-17)30(25,26)22-10-12-27-13-11-22/h5-8,16H,2-4,9-15H2,1H3.
What are the key properties of ethyl 1-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-3-carboxylate?
ethyl 1-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-3-carboxylate has a molecular weight of 440.52 g/mol, XLogP of 0.89, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 4095236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).