ethyl 1-carbamoylpiperidine-3-carboxylate

C9H16N2O3 — CID 24697535

IUPACethyl 1-carbamoylpiperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(N)=O)C1
InChIInChI=1S/C9H16N2O3/c1-2-14-8(12)7-4-3-5-11(6-7)9(10)13/h7H,2-6H2,1H3,(H2,10,13)
InChIKeyXISCTQFHGQVUHY-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.34
Rot. Bonds2

About ethyl 1-carbamoylpiperidine-3-carboxylate

ethyl 1-carbamoylpiperidine-3-carboxylate (PubChem CID 24697535) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is ethyl 1-carbamoylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-carbamoylpiperidine-3-carboxylate
PubChem CID24697535
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nameethyl 1-carbamoylpiperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(N)=O)C1
InChIInChI=1S/C9H16N2O3/c1-2-14-8(12)7-4-3-5-11(6-7)9(10)13/h7H,2-6H2,1H3,(H2,10,13)
InChIKeyXISCTQFHGQVUHY-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

Analyze ethyl 1-carbamoylpiperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-carbamoylpiperidine-3-carboxylate?
The IUPAC name of ethyl 1-carbamoylpiperidine-3-carboxylate (CID 24697535) is ethyl 1-carbamoylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-carbamoylpiperidine-3-carboxylate?
The canonical SMILES for ethyl 1-carbamoylpiperidine-3-carboxylate is CCOC(=O)C1CCCN(C(N)=O)C1.
What is the InChIKey of ethyl 1-carbamoylpiperidine-3-carboxylate?
The InChIKey is XISCTQFHGQVUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-14-8(12)7-4-3-5-11(6-7)9(10)13/h7H,2-6H2,1H3,(H2,10,13).
What are the key properties of ethyl 1-carbamoylpiperidine-3-carboxylate?
ethyl 1-carbamoylpiperidine-3-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 1-carbamoylpiperidine-3-carboxylate is sourced from PubChem (CID 24697535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).