methyl 5-carbamoylpiperidine-2-carboxylate

C8H14N2O3 — CID 130740109

IUPACmethyl 5-carbamoylpiperidine-2-carboxylate
SMILESCOC(=O)C1CCC(C(N)=O)CN1
InChIInChI=1S/C8H14N2O3/c1-13-8(12)6-3-2-5(4-10-6)7(9)11/h5-6,10H,2-4H2,1H3,(H2,9,11)
InChIKeyKPXGHSMUKBLWTC-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.99
Rot. Bonds2

About methyl 5-carbamoylpiperidine-2-carboxylate

methyl 5-carbamoylpiperidine-2-carboxylate (PubChem CID 130740109) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is methyl 5-carbamoylpiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-carbamoylpiperidine-2-carboxylate
PubChem CID130740109
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Namemethyl 5-carbamoylpiperidine-2-carboxylate
SMILESCOC(=O)C1CCC(C(N)=O)CN1
InChIInChI=1S/C8H14N2O3/c1-13-8(12)6-3-2-5(4-10-6)7(9)11/h5-6,10H,2-4H2,1H3,(H2,9,11)
InChIKeyKPXGHSMUKBLWTC-UHFFFAOYSA-N
XLogP-0.99
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-carbamoylpiperidine-2-carboxylate?
The IUPAC name of methyl 5-carbamoylpiperidine-2-carboxylate (CID 130740109) is methyl 5-carbamoylpiperidine-2-carboxylate.
What is the SMILES notation for methyl 5-carbamoylpiperidine-2-carboxylate?
The canonical SMILES for methyl 5-carbamoylpiperidine-2-carboxylate is COC(=O)C1CCC(C(N)=O)CN1.
What is the InChIKey of methyl 5-carbamoylpiperidine-2-carboxylate?
The InChIKey is KPXGHSMUKBLWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-13-8(12)6-3-2-5(4-10-6)7(9)11/h5-6,10H,2-4H2,1H3,(H2,9,11).
What are the key properties of methyl 5-carbamoylpiperidine-2-carboxylate?
methyl 5-carbamoylpiperidine-2-carboxylate has a molecular weight of 186.21 g/mol, XLogP of -0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-carbamoylpiperidine-2-carboxylate is sourced from PubChem (CID 130740109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).