ethyl 4-carbamoylpiperidine-1-carboxylate

C9H16N2O3 — CID 3242068

IUPACethyl 4-carbamoylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C9H16N2O3/c1-2-14-9(13)11-5-3-7(4-6-11)8(10)12/h7H,2-6H2,1H3,(H2,10,12)
InChIKeyZPMNZQJZXQUPKX-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.34
Rot. Bonds2

About ethyl 4-carbamoylpiperidine-1-carboxylate

ethyl 4-carbamoylpiperidine-1-carboxylate (PubChem CID 3242068) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is ethyl 4-carbamoylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-carbamoylpiperidine-1-carboxylate
PubChem CID3242068
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nameethyl 4-carbamoylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C9H16N2O3/c1-2-14-9(13)11-5-3-7(4-6-11)8(10)12/h7H,2-6H2,1H3,(H2,10,12)
InChIKeyZPMNZQJZXQUPKX-UHFFFAOYSA-N
XLogP0.34
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-carbamoylpiperidine-1-carboxylate?
The IUPAC name of ethyl 4-carbamoylpiperidine-1-carboxylate (CID 3242068) is ethyl 4-carbamoylpiperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-carbamoylpiperidine-1-carboxylate?
The canonical SMILES for ethyl 4-carbamoylpiperidine-1-carboxylate is CCOC(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of ethyl 4-carbamoylpiperidine-1-carboxylate?
The InChIKey is ZPMNZQJZXQUPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-14-9(13)11-5-3-7(4-6-11)8(10)12/h7H,2-6H2,1H3,(H2,10,12).
What are the key properties of ethyl 4-carbamoylpiperidine-1-carboxylate?
ethyl 4-carbamoylpiperidine-1-carboxylate has a molecular weight of 200.24 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-carbamoylpiperidine-1-carboxylate is sourced from PubChem (CID 3242068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).