ethyl 2-methyl-3-(piperidine-4-carbonylamino)propanoate

C12H22N2O3 — CID 119326846

IUPACethyl 2-methyl-3-(piperidine-4-carbonylamino)propanoate
SMILESCCOC(=O)C(C)CNC(=O)C1CCNCC1
InChIInChI=1S/C12H22N2O3/c1-3-17-12(16)9(2)8-14-11(15)10-4-6-13-7-5-10/h9-10,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyUVOUAALMBZUUDQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.30
Rot. Bonds5

About ethyl 2-methyl-3-(piperidine-4-carbonylamino)propanoate

ethyl 2-methyl-3-(piperidine-4-carbonylamino)propanoate (PubChem CID 119326846) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is ethyl 2-methyl-3-(piperidine-4-carbonylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-(piperidine-4-carbonylamino)propanoate
PubChem CID119326846
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nameethyl 2-methyl-3-(piperidine-4-carbonylamino)propanoate
SMILESCCOC(=O)C(C)CNC(=O)C1CCNCC1
InChIInChI=1S/C12H22N2O3/c1-3-17-12(16)9(2)8-14-11(15)10-4-6-13-7-5-10/h9-10,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyUVOUAALMBZUUDQ-UHFFFAOYSA-N
XLogP0.30
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 ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 2-methyl-3-(piperidine-4-carbonylamino)propanoate
CID 119338456
ethyl 2-methyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate
CID 120633653
ethyl 3-[(3-aminocyclopentanecarbonyl)amino]-2-methylpropanoate
CID 119789233
N-(2-ethylbutyl)piperidine-4-carboxamide
CID 115733723
N-ethoxypiperidine-4-carboxamide
CID 64974737
N-(2-methylsulfanylpropyl)piperidine-4-carboxamide
CID 83632756
N-(2-ethylhexyl)piperidine-4-carboxamide
CID 61249053
N-[2-(dimethylamino)-3-ethylpentyl]piperidine-4-carboxamide
CID 61275439
N-(aminomethyl)piperidine-4-carboxamide;ethane
CID 167467064
3-[(piperidine-4-carbonylamino)methyl]pentanoic acid
CID 81072442
ethyl 4-[(piperidine-4-carbonylamino)methyl]benzoate
CID 119302054
ethyl (2S)-3-acetamido-2-methylpropanoate
CID 15606037

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-(piperidine-4-carbonylamino)propanoate?
The IUPAC name of ethyl 2-methyl-3-(piperidine-4-carbonylamino)propanoate (CID 119326846) is ethyl 2-methyl-3-(piperidine-4-carbonylamino)propanoate.
What is the SMILES notation for ethyl 2-methyl-3-(piperidine-4-carbonylamino)propanoate?
The canonical SMILES for ethyl 2-methyl-3-(piperidine-4-carbonylamino)propanoate is CCOC(=O)C(C)CNC(=O)C1CCNCC1.
What is the InChIKey of ethyl 2-methyl-3-(piperidine-4-carbonylamino)propanoate?
The InChIKey is UVOUAALMBZUUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-17-12(16)9(2)8-14-11(15)10-4-6-13-7-5-10/h9-10,13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of ethyl 2-methyl-3-(piperidine-4-carbonylamino)propanoate?
ethyl 2-methyl-3-(piperidine-4-carbonylamino)propanoate has a molecular weight of 242.32 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-(piperidine-4-carbonylamino)propanoate is sourced from PubChem (CID 119326846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).