ethyl 1-[2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetyl]piperidine-2-carboxylate

C17H26N4O6S — CID 20949741

IUPACethyl 1-[2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)Cn1cnc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H26N4O6S/c1-2-27-17(23)14-5-3-4-6-21(14)16(22)12-19-11-15(18-13-19)28(24,25)20-7-9-26-10-8-20/h11,13-14H,2-10,12H2,1H3
InChIKeySPQCSVOIICFYTM-UHFFFAOYSA-N
MW414.48 g/mol
LogP-0.15
Rot. Bonds6

About ethyl 1-[2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetyl]piperidine-2-carboxylate

ethyl 1-[2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetyl]piperidine-2-carboxylate (PubChem CID 20949741) has the molecular formula C17H26N4O6S and a molecular weight of 414.48 g/mol. Its IUPAC name is ethyl 1-[2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetyl]piperidine-2-carboxylate
PubChem CID20949741
Molecular FormulaC17H26N4O6S
Molecular Weight414.48 g/mol
Exact Mass414.16
IUPAC Nameethyl 1-[2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)Cn1cnc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H26N4O6S/c1-2-27-17(23)14-5-3-4-6-21(14)16(22)12-19-11-15(18-13-19)28(24,25)20-7-9-26-10-8-20/h11,13-14H,2-10,12H2,1H3
InChIKeySPQCSVOIICFYTM-UHFFFAOYSA-N
XLogP-0.15
TPSA111.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetyl]piperidine-2-carboxylate (CID 20949741) is ethyl 1-[2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)Cn1cnc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of ethyl 1-[2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetyl]piperidine-2-carboxylate?
The InChIKey is SPQCSVOIICFYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O6S/c1-2-27-17(23)14-5-3-4-6-21(14)16(22)12-19-11-15(18-13-19)28(24,25)20-7-9-26-10-8-20/h11,13-14H,2-10,12H2,1H3.
What are the key properties of ethyl 1-[2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetyl]piperidine-2-carboxylate?
ethyl 1-[2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetyl]piperidine-2-carboxylate has a molecular weight of 414.48 g/mol, XLogP of -0.15, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetyl]piperidine-2-carboxylate is sourced from PubChem (CID 20949741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).