ethyl 2-oxo-2-(3-piperazin-1-ylpropylamino)acetate

C11H21N3O3 — CID 61408291

IUPACethyl 2-oxo-2-(3-piperazin-1-ylpropylamino)acetate
SMILESCCOC(=O)C(=O)NCCCN1CCNCC1
InChIInChI=1S/C11H21N3O3/c1-2-17-11(16)10(15)13-4-3-7-14-8-5-12-6-9-14/h12H,2-9H2,1H3,(H,13,15)
InChIKeyJFCIUHSNEHORQN-UHFFFAOYSA-N
MW243.31 g/mol
LogP-1.04
Rot. Bonds5

About ethyl 2-oxo-2-(3-piperazin-1-ylpropylamino)acetate

ethyl 2-oxo-2-(3-piperazin-1-ylpropylamino)acetate (PubChem CID 61408291) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is ethyl 2-oxo-2-(3-piperazin-1-ylpropylamino)acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-(3-piperazin-1-ylpropylamino)acetate
PubChem CID61408291
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Nameethyl 2-oxo-2-(3-piperazin-1-ylpropylamino)acetate
SMILESCCOC(=O)C(=O)NCCCN1CCNCC1
InChIInChI=1S/C11H21N3O3/c1-2-17-11(16)10(15)13-4-3-7-14-8-5-12-6-9-14/h12H,2-9H2,1H3,(H,13,15)
InChIKeyJFCIUHSNEHORQN-UHFFFAOYSA-N
XLogP-1.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(5-piperazin-1-ylpentyl)prop-2-enamide
CID 18464110
2,2-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide
CID 55103201
2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119393199
5-piperazin-1-ylpentylcarbamic acid
CID 166666960
ethyl 7-piperazin-1-ylheptanoate
CID 21477471
N-(3-morpholin-4-ylpropyl)-N'-(2-piperazin-1-ylethyl)oxamide
CID 108517732
tert-butyl N-(4-piperazin-1-ylbutyl)carbamate
CID 4134691
1-tert-butyl-3-(3-piperazin-1-ylpropyl)urea
CID 43443413
N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]butanamide
CID 119393390
N-(3-piperazin-1-ylpropyl)-2-propylsulfanylacetamide
CID 119392220
ethyl 3-[7-(3-ethoxy-3-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoate
CID 132559455
ethyl 2-oxo-2-(3-pyrrol-1-ylpropylamino)acetate
CID 90500544

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-(3-piperazin-1-ylpropylamino)acetate?
The IUPAC name of ethyl 2-oxo-2-(3-piperazin-1-ylpropylamino)acetate (CID 61408291) is ethyl 2-oxo-2-(3-piperazin-1-ylpropylamino)acetate.
What is the SMILES notation for ethyl 2-oxo-2-(3-piperazin-1-ylpropylamino)acetate?
The canonical SMILES for ethyl 2-oxo-2-(3-piperazin-1-ylpropylamino)acetate is CCOC(=O)C(=O)NCCCN1CCNCC1.
What is the InChIKey of ethyl 2-oxo-2-(3-piperazin-1-ylpropylamino)acetate?
The InChIKey is JFCIUHSNEHORQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-2-17-11(16)10(15)13-4-3-7-14-8-5-12-6-9-14/h12H,2-9H2,1H3,(H,13,15).
What are the key properties of ethyl 2-oxo-2-(3-piperazin-1-ylpropylamino)acetate?
ethyl 2-oxo-2-(3-piperazin-1-ylpropylamino)acetate has a molecular weight of 243.31 g/mol, XLogP of -1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-(3-piperazin-1-ylpropylamino)acetate is sourced from PubChem (CID 61408291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).