ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate

C11H21N3O3 — CID 47103610

IUPACethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate
SMILESCCNC(=O)NC1CCN(C(=O)OCC)CC1
InChIInChI=1S/C11H21N3O3/c1-3-12-10(15)13-9-5-7-14(8-6-9)11(16)17-4-2/h9H,3-8H2,1-2H3,(H2,12,13,15)
InChIKeyAODUFAHFGXAGQR-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.93
Rot. Bonds3

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

ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate (PubChem CID 47103610) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate
PubChem CID47103610
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Nameethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate
SMILESCCNC(=O)NC1CCN(C(=O)OCC)CC1
InChIInChI=1S/C11H21N3O3/c1-3-12-10(15)13-9-5-7-14(8-6-9)11(16)17-4-2/h9H,3-8H2,1-2H3,(H2,12,13,15)
InChIKeyAODUFAHFGXAGQR-UHFFFAOYSA-N
XLogP0.93
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(ethylcarbamothioylamino)piperidine-1-carboxylate
CID 113218404
ethyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoylamino]piperidine-1-carboxylate
CID 108864537
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873
ethyl 4-[2-(cyclopropylcarbamoylamino)acetyl]piperazine-1-carboxylate
CID 110305640
ethyl 4-(2-chloropropanoylcarbamoylamino)piperidine-1-carboxylate
CID 43328963
ethyl 4-[2-(4-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate
CID 108891194
ethyl 4-[[(2R)-1-ethylpiperidin-2-yl]methylcarbamoylamino]piperidine-1-carboxylate
CID 95765263
ethyl 4-[[(2S)-2-aminopentanoyl]amino]piperidine-1-carboxylate
CID 93255529
ethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate
CID 110756025
ethyl 4-[[(2S)-2-aminobutanoyl]amino]piperidine-1-carboxylate
CID 79025288
ethyl 4-(2-bromopropanoylamino)piperidine-1-carboxylate
CID 103693309
ethyl 4-(piperidine-1-carbonylamino)piperidine-1-carboxylate
CID 108987901

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate (CID 47103610) is ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate is CCNC(=O)NC1CCN(C(=O)OCC)CC1.
What is the InChIKey of ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate?
The InChIKey is AODUFAHFGXAGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-3-12-10(15)13-9-5-7-14(8-6-9)11(16)17-4-2/h9H,3-8H2,1-2H3,(H2,12,13,15).
What are the key properties of ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate?
ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate has a molecular weight of 243.31 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate is sourced from PubChem (CID 47103610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).