methyl 4-[4-(3-oxomorpholin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxylate

C17H27N3O5 — CID 134797535

IUPACmethyl 4-[4-(3-oxomorpholin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(=O)N2CCC(N3CCOCC3=O)CC2)CC1
InChIInChI=1S/C17H27N3O5/c1-24-17(23)19-6-2-13(3-7-19)16(22)18-8-4-14(5-9-18)20-10-11-25-12-15(20)21/h13-14H,2-12H2,1H3
InChIKeyGMAURXAJVYZOIH-UHFFFAOYSA-N
MW353.42 g/mol
LogP0.31
Rot. Bonds2

About methyl 4-[4-(3-oxomorpholin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxylate

methyl 4-[4-(3-oxomorpholin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxylate (PubChem CID 134797535) has the molecular formula C17H27N3O5 and a molecular weight of 353.42 g/mol. Its IUPAC name is methyl 4-[4-(3-oxomorpholin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4-(3-oxomorpholin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxylate
PubChem CID134797535
Molecular FormulaC17H27N3O5
Molecular Weight353.42 g/mol
Exact Mass353.20
IUPAC Namemethyl 4-[4-(3-oxomorpholin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(=O)N2CCC(N3CCOCC3=O)CC2)CC1
InChIInChI=1S/C17H27N3O5/c1-24-17(23)19-6-2-13(3-7-19)16(22)18-8-4-14(5-9-18)20-10-11-25-12-15(20)21/h13-14H,2-12H2,1H3
InChIKeyGMAURXAJVYZOIH-UHFFFAOYSA-N
XLogP0.31
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(3-oxomorpholin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[4-(3-oxomorpholin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxylate (CID 134797535) is methyl 4-[4-(3-oxomorpholin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[4-(3-oxomorpholin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[4-(3-oxomorpholin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxylate is COC(=O)N1CCC(C(=O)N2CCC(N3CCOCC3=O)CC2)CC1.
What is the InChIKey of methyl 4-[4-(3-oxomorpholin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxylate?
The InChIKey is GMAURXAJVYZOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5/c1-24-17(23)19-6-2-13(3-7-19)16(22)18-8-4-14(5-9-18)20-10-11-25-12-15(20)21/h13-14H,2-12H2,1H3.
What are the key properties of methyl 4-[4-(3-oxomorpholin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxylate?
methyl 4-[4-(3-oxomorpholin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxylate has a molecular weight of 353.42 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(3-oxomorpholin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxylate is sourced from PubChem (CID 134797535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).