ethyl 4-(4-carbamoylpiperidin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate

C16H20N4O4 — CID 20924859

IUPACethyl 4-(4-carbamoylpiperidin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncnc(N3CCC(C(N)=O)CC3)c12
InChIInChI=1S/C16H20N4O4/c1-3-23-16(22)11-9(2)24-15-12(11)14(18-8-19-15)20-6-4-10(5-7-20)13(17)21/h8,10H,3-7H2,1-2H3,(H2,17,21)
InChIKeyVRHAEMHDHNZRFZ-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.41
Rot. Bonds4

About ethyl 4-(4-carbamoylpiperidin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate

ethyl 4-(4-carbamoylpiperidin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate (PubChem CID 20924859) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is ethyl 4-(4-carbamoylpiperidin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-carbamoylpiperidin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
PubChem CID20924859
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Nameethyl 4-(4-carbamoylpiperidin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncnc(N3CCC(C(N)=O)CC3)c12
InChIInChI=1S/C16H20N4O4/c1-3-23-16(22)11-9(2)24-15-12(11)14(18-8-19-15)20-6-4-10(5-7-20)13(17)21/h8,10H,3-7H2,1-2H3,(H2,17,21)
InChIKeyVRHAEMHDHNZRFZ-UHFFFAOYSA-N
XLogP1.41
TPSA111.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carbonyl)amino]benzoate
CID 20925199
ethyl 2,6-dimethyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20925009
ethyl 6-methyl-4-[2-(4-methylpiperidin-1-yl)ethylamino]furo[2,3-d]pyrimidine-5-carboxylate
CID 46280360
azepan-1-yl-(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidin-5-yl)methanone
CID 20925129
ethyl 4-[3-(2-ethylpiperidin-1-yl)propylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924871
1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide
CID 46289986
N-butyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46289963
N,N-diethyl-6-methyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide
CID 20925298
1-[6-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 91228180
ethyl 4-[(2-ethoxy-2-oxoethyl)amino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924958
1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 46289930
ethyl 4-(3-ethoxypropylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924881

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-carbamoylpiperidin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(4-carbamoylpiperidin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate (CID 20924859) is ethyl 4-(4-carbamoylpiperidin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(4-carbamoylpiperidin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(4-carbamoylpiperidin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2ncnc(N3CCC(C(N)=O)CC3)c12.
What is the InChIKey of ethyl 4-(4-carbamoylpiperidin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is VRHAEMHDHNZRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-3-23-16(22)11-9(2)24-15-12(11)14(18-8-19-15)20-6-4-10(5-7-20)13(17)21/h8,10H,3-7H2,1-2H3,(H2,17,21).
What are the key properties of ethyl 4-(4-carbamoylpiperidin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
ethyl 4-(4-carbamoylpiperidin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 332.36 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-carbamoylpiperidin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 20924859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).