ethyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate

C13H18N4O5 — CID 110698266

IUPACethyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C13H18N4O5/c1-2-22-13(21)17-5-3-8(4-6-17)14-11(19)9-7-10(18)16-12(20)15-9/h7-8H,2-6H2,1H3,(H,14,19)(H2,15,16,18,20)
InChIKeyWDCYREBTYPQESK-UHFFFAOYSA-N
MW310.31 g/mol
LogP-0.59
Rot. Bonds3

About ethyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 110698266) has the molecular formula C13H18N4O5 and a molecular weight of 310.31 g/mol. Its IUPAC name is ethyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate
PubChem CID110698266
Molecular FormulaC13H18N4O5
Molecular Weight310.31 g/mol
Exact Mass310.13
IUPAC Nameethyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C13H18N4O5/c1-2-22-13(21)17-5-3-8(4-6-17)14-11(19)9-7-10(18)16-12(20)15-9/h7-8H,2-6H2,1H3,(H,14,19)(H2,15,16,18,20)
InChIKeyWDCYREBTYPQESK-UHFFFAOYSA-N
XLogP-0.59
TPSA124.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 24644255
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CID 78880710
ethyl 4-benzamidopiperidine-1-carboxylate
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ethyl 4-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 110773503
ethyl 4-[(5-chloro-3-methyl-1H-indole-2-carbonyl)amino]piperidine-1-carboxylate
CID 113204728
ethyl 4-[[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]piperidine-1-carboxylate
CID 167897068
ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]piperidine-1-carboxylate
CID 2815508
ethyl 4-[(2,4-dimethyl-1H-indole-3-carbonyl)amino]piperidine-1-carboxylate
CID 110853878
ethyl 4-[(4-methoxy-2,5-dimethylbenzoyl)amino]piperidine-1-carboxylate
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ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate (CID 110698266) is ethyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)CC1.
What is the InChIKey of ethyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is WDCYREBTYPQESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O5/c1-2-22-13(21)17-5-3-8(4-6-17)14-11(19)9-7-10(18)16-12(20)15-9/h7-8H,2-6H2,1H3,(H,14,19)(H2,15,16,18,20).
What are the key properties of ethyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 310.31 g/mol, XLogP of -0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 110698266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).