methyl 3-carbamoylpiperidine-1-carboxylate

C8H14N2O3 — CID 20628073

IUPACmethyl 3-carbamoylpiperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C8H14N2O3/c1-13-8(12)10-4-2-3-6(5-10)7(9)11/h6H,2-5H2,1H3,(H2,9,11)
InChIKeyGKSSHGBWFXOVOZ-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.05
Rot. Bonds1

About methyl 3-carbamoylpiperidine-1-carboxylate

methyl 3-carbamoylpiperidine-1-carboxylate (PubChem CID 20628073) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is methyl 3-carbamoylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-carbamoylpiperidine-1-carboxylate
PubChem CID20628073
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Namemethyl 3-carbamoylpiperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C8H14N2O3/c1-13-8(12)10-4-2-3-6(5-10)7(9)11/h6H,2-5H2,1H3,(H2,9,11)
InChIKeyGKSSHGBWFXOVOZ-UHFFFAOYSA-N
XLogP-0.05
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-carbamoylpiperidine-1-carboxylate?
The IUPAC name of methyl 3-carbamoylpiperidine-1-carboxylate (CID 20628073) is methyl 3-carbamoylpiperidine-1-carboxylate.
What is the SMILES notation for methyl 3-carbamoylpiperidine-1-carboxylate?
The canonical SMILES for methyl 3-carbamoylpiperidine-1-carboxylate is COC(=O)N1CCCC(C(N)=O)C1.
What is the InChIKey of methyl 3-carbamoylpiperidine-1-carboxylate?
The InChIKey is GKSSHGBWFXOVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-13-8(12)10-4-2-3-6(5-10)7(9)11/h6H,2-5H2,1H3,(H2,9,11).
What are the key properties of methyl 3-carbamoylpiperidine-1-carboxylate?
methyl 3-carbamoylpiperidine-1-carboxylate has a molecular weight of 186.21 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-carbamoylpiperidine-1-carboxylate is sourced from PubChem (CID 20628073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).