methyl 2-oxo-2-(2-piperidin-1-ylethylamino)acetate

C10H18N2O3 — CID 112616960

IUPACmethyl 2-oxo-2-(2-piperidin-1-ylethylamino)acetate
SMILESCOC(=O)C(=O)NCCN1CCCCC1
InChIInChI=1S/C10H18N2O3/c1-15-10(14)9(13)11-5-8-12-6-3-2-4-7-12/h2-8H2,1H3,(H,11,13)
InChIKeyISKPQGQAPKJTHL-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.24
Rot. Bonds3

About methyl 2-oxo-2-(2-piperidin-1-ylethylamino)acetate

methyl 2-oxo-2-(2-piperidin-1-ylethylamino)acetate (PubChem CID 112616960) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl 2-oxo-2-(2-piperidin-1-ylethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-oxo-2-(2-piperidin-1-ylethylamino)acetate
PubChem CID112616960
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Namemethyl 2-oxo-2-(2-piperidin-1-ylethylamino)acetate
SMILESCOC(=O)C(=O)NCCN1CCCCC1
InChIInChI=1S/C10H18N2O3/c1-15-10(14)9(13)11-5-8-12-6-3-2-4-7-12/h2-8H2,1H3,(H,11,13)
InChIKeyISKPQGQAPKJTHL-UHFFFAOYSA-N
XLogP-0.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.24
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

(2Z)-2-hydroxyimino-N-(2-piperidin-1-ylethyl)propanamide
CID 6401184
ethane;N-(2-piperidin-1-ylethyl)propanamide
CID 143432690
N-(2-piperidin-1-ylethyl)pentanamide
CID 70962894
methylsulfanyl N-(2-piperidin-1-ylethyl)carbamate
CID 166765455
2-(2-methoxyethoxy)-N-(2-piperidin-1-ylethyl)acetamide
CID 113223173
methyl N-(4-piperidin-1-ylbutyl)carbamate
CID 97356284
2-oxo-N-(3-piperidin-1-ylpropyl)propanamide
CID 121311935
2-cyano-3-hydroxy-N-(2-piperidin-1-ylethyl)but-2-enamide
CID 67840638
methyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2-oxoacetate
CID 112617205
2,2-difluoro-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 103514781
N-[2-(azepan-1-yl)ethyl]-2-(propan-2-ylamino)acetamide
CID 61240012
1,1-diethyl-3-(2-piperidin-1-ylethyl)urea
CID 115583735

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-2-(2-piperidin-1-ylethylamino)acetate?
The IUPAC name of methyl 2-oxo-2-(2-piperidin-1-ylethylamino)acetate (CID 112616960) is methyl 2-oxo-2-(2-piperidin-1-ylethylamino)acetate.
What is the SMILES notation for methyl 2-oxo-2-(2-piperidin-1-ylethylamino)acetate?
The canonical SMILES for methyl 2-oxo-2-(2-piperidin-1-ylethylamino)acetate is COC(=O)C(=O)NCCN1CCCCC1.
What is the InChIKey of methyl 2-oxo-2-(2-piperidin-1-ylethylamino)acetate?
The InChIKey is ISKPQGQAPKJTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-15-10(14)9(13)11-5-8-12-6-3-2-4-7-12/h2-8H2,1H3,(H,11,13).
What are the key properties of methyl 2-oxo-2-(2-piperidin-1-ylethylamino)acetate?
methyl 2-oxo-2-(2-piperidin-1-ylethylamino)acetate has a molecular weight of 214.26 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-2-(2-piperidin-1-ylethylamino)acetate is sourced from PubChem (CID 112616960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).