ethyl 1-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]piperidine-3-carboxylate

C14H25N3O4 — CID 108521928

IUPACethyl 1-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C(=O)NCCN(C)C)C1
InChIInChI=1S/C14H25N3O4/c1-4-21-14(20)11-6-5-8-17(10-11)13(19)12(18)15-7-9-16(2)3/h11H,4-10H2,1-3H3,(H,15,18)
InChIKeyGPOUQEHRDYCUIU-UHFFFAOYSA-N
MW299.37 g/mol
LogP-0.53
Rot. Bonds5

About ethyl 1-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]piperidine-3-carboxylate

ethyl 1-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]piperidine-3-carboxylate (PubChem CID 108521928) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is ethyl 1-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]piperidine-3-carboxylate
PubChem CID108521928
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Nameethyl 1-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C(=O)NCCN(C)C)C1
InChIInChI=1S/C14H25N3O4/c1-4-21-14(20)11-6-5-8-17(10-11)13(19)12(18)15-7-9-16(2)3/h11H,4-10H2,1-3H3,(H,15,18)
InChIKeyGPOUQEHRDYCUIU-UHFFFAOYSA-N
XLogP-0.53
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[2-(cyanomethylamino)-2-oxoacetyl]piperidine-3-carboxylate
CID 43316014
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874
ethyl (3S)-1-(diethylcarbamoyl)piperidine-3-carboxylate
CID 7378827
ethyl 1-[2-(4-cyanoanilino)-2-oxoacetyl]piperidine-3-carboxylate
CID 108519415
ethyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetyl]piperidine-3-carboxylate
CID 108521881
ethyl 1-[(E)-2-methylpent-2-enoyl]piperidine-3-carboxylate
CID 43424005
ethyl (3R)-1-[3-(dimethylamino)propyl]piperidine-3-carboxylate
CID 103785632
ethyl 1-[N-[[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-N'-methylcarbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110993574
2-[2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]ethoxy]acetic acid
CID 79463699
ethyl 1-[N'-[3-(dimethylamino)-3-oxopropyl]-N-ethylcarbamimidoyl]piperidine-3-carboxylate
CID 110994723
ethyl 1-[2-(4-nitroanilino)-2-oxoacetyl]piperidine-3-carboxylate
CID 108513134
ethyl (3S)-1-(3-methylbut-2-enoyl)piperidine-3-carboxylate
CID 81344389

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]piperidine-3-carboxylate (CID 108521928) is ethyl 1-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)C(=O)NCCN(C)C)C1.
What is the InChIKey of ethyl 1-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]piperidine-3-carboxylate?
The InChIKey is GPOUQEHRDYCUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-4-21-14(20)11-6-5-8-17(10-11)13(19)12(18)15-7-9-16(2)3/h11H,4-10H2,1-3H3,(H,15,18).
What are the key properties of ethyl 1-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]piperidine-3-carboxylate?
ethyl 1-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]piperidine-3-carboxylate has a molecular weight of 299.37 g/mol, XLogP of -0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]piperidine-3-carboxylate is sourced from PubChem (CID 108521928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).