ethyl 1-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoacetyl]piperidine-4-carboxylate

C14H18N4O6 — CID 42571638

IUPACethyl 1-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(=O)Nc2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C14H18N4O6/c1-2-24-13(22)8-3-5-18(6-4-8)12(21)11(20)16-9-7-15-14(23)17-10(9)19/h7-8H,2-6H2,1H3,(H,16,20)(H2,15,17,19,23)
InChIKeyKGUHJIZWDGSCQZ-UHFFFAOYSA-N
MW338.32 g/mol
LogP-1.20
Rot. Bonds3

About ethyl 1-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoacetyl]piperidine-4-carboxylate

ethyl 1-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoacetyl]piperidine-4-carboxylate (PubChem CID 42571638) has the molecular formula C14H18N4O6 and a molecular weight of 338.32 g/mol. Its IUPAC name is ethyl 1-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoacetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoacetyl]piperidine-4-carboxylate
PubChem CID42571638
Molecular FormulaC14H18N4O6
Molecular Weight338.32 g/mol
Exact Mass338.12
IUPAC Nameethyl 1-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(=O)Nc2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C14H18N4O6/c1-2-24-13(22)8-3-5-18(6-4-8)12(21)11(20)16-9-7-15-14(23)17-10(9)19/h7-8H,2-6H2,1H3,(H,16,20)(H2,15,17,19,23)
InChIKeyKGUHJIZWDGSCQZ-UHFFFAOYSA-N
XLogP-1.20
TPSA141.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 1-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoacetyl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoacetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoacetyl]piperidine-4-carboxylate (CID 42571638) is ethyl 1-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoacetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoacetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoacetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(=O)Nc2c[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of ethyl 1-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoacetyl]piperidine-4-carboxylate?
The InChIKey is KGUHJIZWDGSCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O6/c1-2-24-13(22)8-3-5-18(6-4-8)12(21)11(20)16-9-7-15-14(23)17-10(9)19/h7-8H,2-6H2,1H3,(H,16,20)(H2,15,17,19,23).
What are the key properties of ethyl 1-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoacetyl]piperidine-4-carboxylate?
ethyl 1-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoacetyl]piperidine-4-carboxylate has a molecular weight of 338.32 g/mol, XLogP of -1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoacetyl]piperidine-4-carboxylate is sourced from PubChem (CID 42571638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).