ethyl 4-[(2,4-dimethyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate

C15H22N4O4 — CID 136890062

IUPACethyl 4-[(2,4-dimethyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2c(C)nc(C)[nH]c2=O)CC1
InChIInChI=1S/C15H22N4O4/c1-4-23-15(22)19-7-5-11(6-8-19)18-14(21)12-9(2)16-10(3)17-13(12)20/h11H,4-8H2,1-3H3,(H,18,21)(H,16,17,20)
InChIKeyAVMOYPDQTFJZAX-UHFFFAOYSA-N
MW322.37 g/mol
LogP0.74
Rot. Bonds3

About ethyl 4-[(2,4-dimethyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(2,4-dimethyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 136890062) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is ethyl 4-[(2,4-dimethyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2,4-dimethyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate
PubChem CID136890062
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Nameethyl 4-[(2,4-dimethyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2c(C)nc(C)[nH]c2=O)CC1
InChIInChI=1S/C15H22N4O4/c1-4-23-15(22)19-7-5-11(6-8-19)18-14(21)12-9(2)16-10(3)17-13(12)20/h11H,4-8H2,1-3H3,(H,18,21)(H,16,17,20)
InChIKeyAVMOYPDQTFJZAX-UHFFFAOYSA-N
XLogP0.74
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(2,4-dimethyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 4-[(6-oxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate
CID 110853947
ethyl 4-[(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate
CID 110853948
4-methyl-5-(piperidine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136062312
ethyl 4-(2,4-dimethyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate
CID 136890063
5-(2-ethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrimidin-6-one
CID 136890087
2,4-dimethyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 136911211
tert-butyl 4-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]piperidine-1-carboxylate
CID 136952738
5-(3-aminopiperidine-1-carbonyl)-2-tert-butyl-4-methyl-1H-pyrimidin-6-one
CID 137019825
2-tert-butyl-4-methyl-6-oxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide;hydrochloride
CID 137019858
2-tert-butyl-4-methyl-6-oxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide
CID 137019859

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2,4-dimethyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2,4-dimethyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate (CID 136890062) is ethyl 4-[(2,4-dimethyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2,4-dimethyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2,4-dimethyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2c(C)nc(C)[nH]c2=O)CC1.
What is the InChIKey of ethyl 4-[(2,4-dimethyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is AVMOYPDQTFJZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-4-23-15(22)19-7-5-11(6-8-19)18-14(21)12-9(2)16-10(3)17-13(12)20/h11H,4-8H2,1-3H3,(H,18,21)(H,16,17,20).
What are the key properties of ethyl 4-[(2,4-dimethyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(2,4-dimethyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 322.37 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2,4-dimethyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 136890062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).