ethyl 1-[2-(cyclopropylamino)acetyl]piperidine-4-carboxylate

C13H22N2O3 — CID 54917942

IUPACethyl 1-[2-(cyclopropylamino)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CNC2CC2)CC1
InChIInChI=1S/C13H22N2O3/c1-2-18-13(17)10-5-7-15(8-6-10)12(16)9-14-11-3-4-11/h10-11,14H,2-9H2,1H3
InChIKeyVVQUWNYFKGZOOA-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.54
Rot. Bonds5

About ethyl 1-[2-(cyclopropylamino)acetyl]piperidine-4-carboxylate

ethyl 1-[2-(cyclopropylamino)acetyl]piperidine-4-carboxylate (PubChem CID 54917942) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is ethyl 1-[2-(cyclopropylamino)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(cyclopropylamino)acetyl]piperidine-4-carboxylate
PubChem CID54917942
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Nameethyl 1-[2-(cyclopropylamino)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CNC2CC2)CC1
InChIInChI=1S/C13H22N2O3/c1-2-18-13(17)10-5-7-15(8-6-10)12(16)9-14-11-3-4-11/h10-11,14H,2-9H2,1H3
InChIKeyVVQUWNYFKGZOOA-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
CID 43086020
ethyl 1-[2-(tert-butylamino)acetyl]piperidine-4-carboxylate
CID 47010749
ethyl 1-(cyclopropylcarbamothioyl)piperidine-4-carboxylate
CID 2033229
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate
CID 13106482
ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate
CID 170985512
ethyl 4-(2-chloroprop-2-enylamino)cyclohexane-1-carboxylate
CID 115924325
ethyl 1-(3-methoxypropanoyl)piperidine-4-carboxylate
CID 62590796
ethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate
CID 22692245
ethyl 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxylate
CID 64685754
ethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate
CID 4294885
ethyl 1-(4-chlorobutanoyl)piperidine-4-carboxylate
CID 60723356

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(cyclopropylamino)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(cyclopropylamino)acetyl]piperidine-4-carboxylate (CID 54917942) is ethyl 1-[2-(cyclopropylamino)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(cyclopropylamino)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(cyclopropylamino)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CNC2CC2)CC1.
What is the InChIKey of ethyl 1-[2-(cyclopropylamino)acetyl]piperidine-4-carboxylate?
The InChIKey is VVQUWNYFKGZOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-18-13(17)10-5-7-15(8-6-10)12(16)9-14-11-3-4-11/h10-11,14H,2-9H2,1H3.
What are the key properties of ethyl 1-[2-(cyclopropylamino)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(cyclopropylamino)acetyl]piperidine-4-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(cyclopropylamino)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 54917942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).