ethyl (3S)-1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate

C16H19N3O5 — CID 31940137

IUPACethyl (3S)-1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)c2c(C)oc3nc[nH]c(=O)c23)C1
InChIInChI=1S/C16H19N3O5/c1-3-23-16(22)10-5-4-6-19(7-10)15(21)11-9(2)24-14-12(11)13(20)17-8-18-14/h8,10H,3-7H2,1-2H3,(H,17,18,20)/t10-/m0/s1
InChIKeyUDGBMLUCGMZXBY-JTQLQIEISA-N
MW333.34 g/mol
LogP1.24
Rot. Bonds3

About ethyl (3S)-1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate

ethyl (3S)-1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate (PubChem CID 31940137) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is ethyl (3S)-1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate
PubChem CID31940137
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Nameethyl (3S)-1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)c2c(C)oc3nc[nH]c(=O)c23)C1
InChIInChI=1S/C16H19N3O5/c1-3-23-16(22)10-5-4-6-19(7-10)15(21)11-9(2)24-14-12(11)13(20)17-8-18-14/h8,10H,3-7H2,1-2H3,(H,17,18,20)/t10-/m0/s1
InChIKeyUDGBMLUCGMZXBY-JTQLQIEISA-N
XLogP1.24
TPSA105.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl (3S)-1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate with MolForge

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Related Compounds

5-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
CID 79404295
5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
CID 166283375
tert-butyl N-[1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]carbamate
CID 55869782
ethyl (3S)-1-(2,6-dimethylbenzoyl)piperidine-3-carboxylate
CID 103783546
ethyl (3S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-3-carboxylate
CID 115535610
(3S)-1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylic acid
CID 119135818
ethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
CID 81345143
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl 1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylate
CID 51112478
ethyl (3R)-1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidine-3-carboxylate
CID 81338794
ethyl 1-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylate
CID 136832041
ethyl (3S)-1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidine-3-carboxylate
CID 81338391

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate (CID 31940137) is ethyl (3S)-1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(C(=O)c2c(C)oc3nc[nH]c(=O)c23)C1.
What is the InChIKey of ethyl (3S)-1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate?
The InChIKey is UDGBMLUCGMZXBY-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19N3O5/c1-3-23-16(22)10-5-4-6-19(7-10)15(21)11-9(2)24-14-12(11)13(20)17-8-18-14/h8,10H,3-7H2,1-2H3,(H,17,18,20)/t10-/m0/s1.
What are the key properties of ethyl (3S)-1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate?
ethyl (3S)-1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate has a molecular weight of 333.34 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 31940137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).