ethyl 5-carbamoylpiperidine-2-carboxylate

C9H16N2O3 — CID 165453986

IUPACethyl 5-carbamoylpiperidine-2-carboxylate
SMILESCCOC(=O)C1CCC(C(N)=O)CN1
InChIInChI=1S/C9H16N2O3/c1-2-14-9(13)7-4-3-6(5-11-7)8(10)12/h6-7,11H,2-5H2,1H3,(H2,10,12)
InChIKeyAUWVRKCCVJBCHG-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.60
Rot. Bonds3

About ethyl 5-carbamoylpiperidine-2-carboxylate

ethyl 5-carbamoylpiperidine-2-carboxylate (PubChem CID 165453986) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is ethyl 5-carbamoylpiperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-carbamoylpiperidine-2-carboxylate
PubChem CID165453986
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nameethyl 5-carbamoylpiperidine-2-carboxylate
SMILESCCOC(=O)C1CCC(C(N)=O)CN1
InChIInChI=1S/C9H16N2O3/c1-2-14-9(13)7-4-3-6(5-11-7)8(10)12/h6-7,11H,2-5H2,1H3,(H2,10,12)
InChIKeyAUWVRKCCVJBCHG-UHFFFAOYSA-N
XLogP-0.60
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-carbamoylpiperidine-2-carboxylate
CID 130740109
ethyl 5-[(2-methylpropanoylamino)carbamoyl]piperidine-2-carboxylate
CID 66693827
diethyl pyrrolidine-2,5-dicarboxylate
CID 13228037
ethyl (2S,4S)-4-(2-cyclopropyl-2-oxoethyl)pyrrolidine-2-carboxylate
CID 59628502
ethyl (2R,4R)-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate
CID 140523794
ethyl 4-methylpyrrolidine-2-carboxylate;hydrochloride
CID 42614258
ethyl piperazine-2-carboxylate
CID 10633257
(2S,5S)-5-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 54457263
ethyl (2S)-5-aminopyrrolidine-2-carboxylate
CID 118106276
diethyl (2R,4S)-piperidine-2,4-dicarboxylate
CID 95970372
ethyl 4-methoxypyrrolidine-2-carboxylate
CID 43119085
ethyl 4-ethylpyrrolidine-2-carboxylate;hydrochloride
CID 42614259

Frequently Asked Questions

What is the IUPAC name of ethyl 5-carbamoylpiperidine-2-carboxylate?
The IUPAC name of ethyl 5-carbamoylpiperidine-2-carboxylate (CID 165453986) is ethyl 5-carbamoylpiperidine-2-carboxylate.
What is the SMILES notation for ethyl 5-carbamoylpiperidine-2-carboxylate?
The canonical SMILES for ethyl 5-carbamoylpiperidine-2-carboxylate is CCOC(=O)C1CCC(C(N)=O)CN1.
What is the InChIKey of ethyl 5-carbamoylpiperidine-2-carboxylate?
The InChIKey is AUWVRKCCVJBCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-14-9(13)7-4-3-6(5-11-7)8(10)12/h6-7,11H,2-5H2,1H3,(H2,10,12).
What are the key properties of ethyl 5-carbamoylpiperidine-2-carboxylate?
ethyl 5-carbamoylpiperidine-2-carboxylate has a molecular weight of 200.24 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-carbamoylpiperidine-2-carboxylate is sourced from PubChem (CID 165453986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).