ethyl 3-[(2-methylpiperidine-4-carbonyl)amino]propanoate

C12H22N2O3 — CID 106739889

IUPACethyl 3-[(2-methylpiperidine-4-carbonyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)C1CCNC(C)C1
InChIInChI=1S/C12H22N2O3/c1-3-17-11(15)5-7-14-12(16)10-4-6-13-9(2)8-10/h9-10,13H,3-8H2,1-2H3,(H,14,16)
InChIKeyXEUZRGOEDABWIF-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.44
Rot. Bonds5

About ethyl 3-[(2-methylpiperidine-4-carbonyl)amino]propanoate

ethyl 3-[(2-methylpiperidine-4-carbonyl)amino]propanoate (PubChem CID 106739889) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is ethyl 3-[(2-methylpiperidine-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2-methylpiperidine-4-carbonyl)amino]propanoate
PubChem CID106739889
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nameethyl 3-[(2-methylpiperidine-4-carbonyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)C1CCNC(C)C1
InChIInChI=1S/C12H22N2O3/c1-3-17-11(15)5-7-14-12(16)10-4-6-13-9(2)8-10/h9-10,13H,3-8H2,1-2H3,(H,14,16)
InChIKeyXEUZRGOEDABWIF-UHFFFAOYSA-N
XLogP0.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 16770022
Ethyl 3-(propan-2-ylcarbamoyl)piperidine-1-carboxylate
CID 47022655
beta-Alanine, N-cyclohexylcarbonyl-, ethyl ester
CID 23553362
beta-Alanine, N-cyclohexylcarbonyl-, propyl ester
CID 91714293
Methyl 3-[(2-piperidin-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 62674550
N-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 106739390
Methyl 3-[(2-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 106739416
methyl 3-fluoro-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]pyrrolidine-3-carboxylate
CID 120638068
Ethyl 4-(((1-isopropylpiperidin-4-yl)methyl)amino)-4-oxobutanoate
CID 45558420
Ethyl 3-(piperidine-3-carbonylamino)propanoate
CID 15858669
Ethyl 3-[(2-amino-4-methylpentanoyl)amino]propanoate
CID 18387203
Methyl 3-(piperidine-3-carbonylamino)propanoate
CID 22611947

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-methylpiperidine-4-carbonyl)amino]propanoate?
The IUPAC name of ethyl 3-[(2-methylpiperidine-4-carbonyl)amino]propanoate (CID 106739889) is ethyl 3-[(2-methylpiperidine-4-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(2-methylpiperidine-4-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(2-methylpiperidine-4-carbonyl)amino]propanoate is CCOC(=O)CCNC(=O)C1CCNC(C)C1.
What is the InChIKey of ethyl 3-[(2-methylpiperidine-4-carbonyl)amino]propanoate?
The InChIKey is XEUZRGOEDABWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-17-11(15)5-7-14-12(16)10-4-6-13-9(2)8-10/h9-10,13H,3-8H2,1-2H3,(H,14,16).
What are the key properties of ethyl 3-[(2-methylpiperidine-4-carbonyl)amino]propanoate?
ethyl 3-[(2-methylpiperidine-4-carbonyl)amino]propanoate has a molecular weight of 242.32 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-methylpiperidine-4-carbonyl)amino]propanoate is sourced from PubChem (CID 106739889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).