methyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate

C13H23N3O4 — CID 47392783

IUPACmethyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)NCC2CCCO2)CC1
InChIInChI=1S/C13H23N3O4/c1-19-13(18)16-6-4-10(5-7-16)15-12(17)14-9-11-3-2-8-20-11/h10-11H,2-9H2,1H3,(H2,14,15,17)
InChIKeyGAJTVPUIVQZCJY-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.70
Rot. Bonds3

About methyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate

methyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate (PubChem CID 47392783) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate
PubChem CID47392783
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Namemethyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)NCC2CCCO2)CC1
InChIInChI=1S/C13H23N3O4/c1-19-13(18)16-6-4-10(5-7-16)15-12(17)14-9-11-3-2-8-20-11/h10-11H,2-9H2,1H3,(H2,14,15,17)
InChIKeyGAJTVPUIVQZCJY-UHFFFAOYSA-N
XLogP0.70
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate (CID 47392783) is methyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate is COC(=O)N1CCC(NC(=O)NCC2CCCO2)CC1.
What is the InChIKey of methyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate?
The InChIKey is GAJTVPUIVQZCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-19-13(18)16-6-4-10(5-7-16)15-12(17)14-9-11-3-2-8-20-11/h10-11H,2-9H2,1H3,(H2,14,15,17).
What are the key properties of methyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate?
methyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate is sourced from PubChem (CID 47392783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).