ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate

C10H18N2O3 — CID 13106482

IUPACethyl 1-(methylcarbamoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)NC)CC1
InChIInChI=1S/C10H18N2O3/c1-3-15-9(13)8-4-6-12(7-5-8)10(14)11-2/h8H,3-7H2,1-2H3,(H,11,14)
InChIKeyXTBGRJARFVTQPO-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.60
Rot. Bonds2

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

ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate (PubChem CID 13106482) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(methylcarbamoyl)piperidine-4-carboxylate
PubChem CID13106482
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nameethyl 1-(methylcarbamoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)NC)CC1
InChIInChI=1S/C10H18N2O3/c1-3-15-9(13)8-4-6-12(7-5-8)10(14)11-2/h8H,3-7H2,1-2H3,(H,11,14)
InChIKeyXTBGRJARFVTQPO-UHFFFAOYSA-N
XLogP0.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(trifluoromethylcarbamoyl)piperidine-4-carboxylate
CID 108865828
ethyl 1-(methoxymethylcarbamoyl)piperidine-4-carboxylate
CID 110675946
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
CID 43086020
ethyl 1-(pentylcarbamoyl)piperidine-4-carboxylate
CID 3860423
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl 1-(2-chloropropanoylcarbamoyl)piperidine-4-carboxylate
CID 43328968
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819
ethyl 1-(N'-ethylcarbamimidoyl)piperidine-4-carboxylate;hydroiodide
CID 111157305
3-[(4-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172435
ethyl 1-[[(E)-2,3,3-trimethylbut-1-enyl]carbamoyl]piperidine-4-carboxylate
CID 108914959
ethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate
CID 4294885

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate (CID 13106482) is ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)NC)CC1.
What is the InChIKey of ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate?
The InChIKey is XTBGRJARFVTQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-15-9(13)8-4-6-12(7-5-8)10(14)11-2/h8H,3-7H2,1-2H3,(H,11,14).
What are the key properties of ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate?
ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 13106482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).