ethyl 2-(4-aminopiperidin-1-yl)-2-oxoacetate

C9H16N2O3 — CID 61403502

IUPACethyl 2-(4-aminopiperidin-1-yl)-2-oxoacetate
SMILESCCOC(=O)C(=O)N1CCC(N)CC1
InChIInChI=1S/C9H16N2O3/c1-2-14-9(13)8(12)11-5-3-7(10)4-6-11/h7H,2-6,10H2,1H3
InChIKeyNODLKWCEGZKHDZ-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.50
Rot. Bonds1

About ethyl 2-(4-aminopiperidin-1-yl)-2-oxoacetate

ethyl 2-(4-aminopiperidin-1-yl)-2-oxoacetate (PubChem CID 61403502) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is ethyl 2-(4-aminopiperidin-1-yl)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(4-aminopiperidin-1-yl)-2-oxoacetate
PubChem CID61403502
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nameethyl 2-(4-aminopiperidin-1-yl)-2-oxoacetate
SMILESCCOC(=O)C(=O)N1CCC(N)CC1
InChIInChI=1S/C9H16N2O3/c1-2-14-9(13)8(12)11-5-3-7(10)4-6-11/h7H,2-6,10H2,1H3
InChIKeyNODLKWCEGZKHDZ-UHFFFAOYSA-N
XLogP-0.50
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(3-aminopyrrolidin-1-yl)-2-oxoacetate
CID 62068517
ethyl 2-(4-cyclopropylpiperazin-1-yl)-2-oxoacetate
CID 61443814
ethyl 2-(3-aminopiperidin-1-yl)-2-oxoacetate;hydrochloride
CID 75526665
ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate
CID 58135902
ethyl 2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetate
CID 63174646
ethyl 2-[3-(aminomethyl)piperidin-1-yl]-2-oxoacetate
CID 117126470
ethyl 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-oxoacetate
CID 52906720
ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-oxoacetate
CID 23565296
ethyl 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetate
CID 60894850
ethyl 1-(4-aminopiperidin-1-yl)sulfonylpiperidine-4-carboxylate;hydrochloride
CID 177052799
ethyl 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoacetate
CID 79945645
1-(4-aminopiperidin-1-yl)ethanone;pentane
CID 142969821

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-aminopiperidin-1-yl)-2-oxoacetate?
The IUPAC name of ethyl 2-(4-aminopiperidin-1-yl)-2-oxoacetate (CID 61403502) is ethyl 2-(4-aminopiperidin-1-yl)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(4-aminopiperidin-1-yl)-2-oxoacetate?
The canonical SMILES for ethyl 2-(4-aminopiperidin-1-yl)-2-oxoacetate is CCOC(=O)C(=O)N1CCC(N)CC1.
What is the InChIKey of ethyl 2-(4-aminopiperidin-1-yl)-2-oxoacetate?
The InChIKey is NODLKWCEGZKHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-14-9(13)8(12)11-5-3-7(10)4-6-11/h7H,2-6,10H2,1H3.
What are the key properties of ethyl 2-(4-aminopiperidin-1-yl)-2-oxoacetate?
ethyl 2-(4-aminopiperidin-1-yl)-2-oxoacetate has a molecular weight of 200.24 g/mol, XLogP of -0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-aminopiperidin-1-yl)-2-oxoacetate is sourced from PubChem (CID 61403502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).