ethyl 1-(ethylcarbamoyl)piperidine-4-carboxylate

C11H20N2O3 — CID 13106483

IUPACethyl 1-(ethylcarbamoyl)piperidine-4-carboxylate
SMILESCCNC(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C11H20N2O3/c1-3-12-11(15)13-7-5-9(6-8-13)10(14)16-4-2/h9H,3-8H2,1-2H3,(H,12,15)
InChIKeyPRCNPZSHXABWDU-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.99
Rot. Bonds3

About ethyl 1-(ethylcarbamoyl)piperidine-4-carboxylate

ethyl 1-(ethylcarbamoyl)piperidine-4-carboxylate (PubChem CID 13106483) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is ethyl 1-(ethylcarbamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(ethylcarbamoyl)piperidine-4-carboxylate
PubChem CID13106483
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nameethyl 1-(ethylcarbamoyl)piperidine-4-carboxylate
SMILESCCNC(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C11H20N2O3/c1-3-12-11(15)13-7-5-9(6-8-13)10(14)16-4-2/h9H,3-8H2,1-2H3,(H,12,15)
InChIKeyPRCNPZSHXABWDU-UHFFFAOYSA-N
XLogP0.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(ethylcarbamoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(ethylcarbamoyl)piperidine-4-carboxylate (CID 13106483) is ethyl 1-(ethylcarbamoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(ethylcarbamoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(ethylcarbamoyl)piperidine-4-carboxylate is CCNC(=O)N1CCC(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-(ethylcarbamoyl)piperidine-4-carboxylate?
The InChIKey is PRCNPZSHXABWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-12-11(15)13-7-5-9(6-8-13)10(14)16-4-2/h9H,3-8H2,1-2H3,(H,12,15).
What are the key properties of ethyl 1-(ethylcarbamoyl)piperidine-4-carboxylate?
ethyl 1-(ethylcarbamoyl)piperidine-4-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(ethylcarbamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 13106483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).