ethyl 4-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]piperidine-1-carboxylate

C13H18N4O4 — CID 136655100

IUPACethyl 4-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C13H18N4O4/c1-2-21-13(20)17-5-3-9(4-6-17)16-12(19)10-7-11(18)15-8-14-10/h7-9H,2-6H2,1H3,(H,16,19)(H,14,15,18)
InChIKeyUPABJUWAJNARJI-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.12
Rot. Bonds3

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

ethyl 4-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 136655100) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is ethyl 4-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]piperidine-1-carboxylate
PubChem CID136655100
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Nameethyl 4-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C13H18N4O4/c1-2-21-13(20)17-5-3-9(4-6-17)16-12(19)10-7-11(18)15-8-14-10/h7-9H,2-6H2,1H3,(H,16,19)(H,14,15,18)
InChIKeyUPABJUWAJNARJI-UHFFFAOYSA-N
XLogP0.12
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]piperidine-1-carboxylate (CID 136655100) is ethyl 4-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cc(=O)[nH]cn2)CC1.
What is the InChIKey of ethyl 4-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is UPABJUWAJNARJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-2-21-13(20)17-5-3-9(4-6-17)16-12(19)10-7-11(18)15-8-14-10/h7-9H,2-6H2,1H3,(H,16,19)(H,14,15,18).
What are the key properties of ethyl 4-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 136655100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).