methyl 4-[(oxan-4-ylcarbamoylamino)methyl]piperidine-1-carboxylate

C14H25N3O4 — CID 91812795

IUPACmethyl 4-[(oxan-4-ylcarbamoylamino)methyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(CNC(=O)NC2CCOCC2)CC1
InChIInChI=1S/C14H25N3O4/c1-20-14(19)17-6-2-11(3-7-17)10-15-13(18)16-12-4-8-21-9-5-12/h11-12H,2-10H2,1H3,(H2,15,16,18)
InChIKeyZOPNHRFOVVXJAM-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.94
Rot. Bonds3

About methyl 4-[(oxan-4-ylcarbamoylamino)methyl]piperidine-1-carboxylate

methyl 4-[(oxan-4-ylcarbamoylamino)methyl]piperidine-1-carboxylate (PubChem CID 91812795) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is methyl 4-[(oxan-4-ylcarbamoylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(oxan-4-ylcarbamoylamino)methyl]piperidine-1-carboxylate
PubChem CID91812795
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Namemethyl 4-[(oxan-4-ylcarbamoylamino)methyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(CNC(=O)NC2CCOCC2)CC1
InChIInChI=1S/C14H25N3O4/c1-20-14(19)17-6-2-11(3-7-17)10-15-13(18)16-12-4-8-21-9-5-12/h11-12H,2-10H2,1H3,(H2,15,16,18)
InChIKeyZOPNHRFOVVXJAM-UHFFFAOYSA-N
XLogP0.94
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(oxan-4-ylcarbamoylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[(oxan-4-ylcarbamoylamino)methyl]piperidine-1-carboxylate (CID 91812795) is methyl 4-[(oxan-4-ylcarbamoylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[(oxan-4-ylcarbamoylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[(oxan-4-ylcarbamoylamino)methyl]piperidine-1-carboxylate is COC(=O)N1CCC(CNC(=O)NC2CCOCC2)CC1.
What is the InChIKey of methyl 4-[(oxan-4-ylcarbamoylamino)methyl]piperidine-1-carboxylate?
The InChIKey is ZOPNHRFOVVXJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-20-14(19)17-6-2-11(3-7-17)10-15-13(18)16-12-4-8-21-9-5-12/h11-12H,2-10H2,1H3,(H2,15,16,18).
What are the key properties of methyl 4-[(oxan-4-ylcarbamoylamino)methyl]piperidine-1-carboxylate?
methyl 4-[(oxan-4-ylcarbamoylamino)methyl]piperidine-1-carboxylate has a molecular weight of 299.37 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(oxan-4-ylcarbamoylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 91812795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).