(3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide

C23H28N4O2 — CID 92866265

IUPAC(3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)[C@@H]2CCCN(c3ncnc4oc(C)c(C)c34)C2)c(C)c1
InChIInChI=1S/C23H28N4O2/c1-13-9-14(2)20(15(3)10-13)26-22(28)18-7-6-8-27(11-18)21-19-16(4)17(5)29-23(19)25-12-24-21/h9-10,12,18H,6-8,11H2,1-5H3,(H,26,28)/t18-/m1/s1
InChIKeyASFOUYXEIGKWOZ-GOSISDBHSA-N
MW392.50 g/mol
LogP4.62
Rot. Bonds3

About (3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide

(3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide (PubChem CID 92866265) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is (3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
PubChem CID92866265
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name(3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)[C@@H]2CCCN(c3ncnc4oc(C)c(C)c34)C2)c(C)c1
InChIInChI=1S/C23H28N4O2/c1-13-9-14(2)20(15(3)10-13)26-22(28)18-7-6-8-27(11-18)21-19-16(4)17(5)29-23(19)25-12-24-21/h9-10,12,18H,6-8,11H2,1-5H3,(H,26,28)/t18-/m1/s1
InChIKeyASFOUYXEIGKWOZ-GOSISDBHSA-N
XLogP4.62
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 92866258
(3S)-N-cyclooctyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866194
(3S)-N-(4-bromo-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866236
N-(2-chloro-4-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46290069
(3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 92866341
(3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 92866163
1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 46290070
(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92866288
(3R)-N-[(4-chlorophenyl)methyl]-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866185
1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 46290089
(3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 92866359
(3S)-N-(4-methylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866568

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide (CID 92866265) is (3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide is Cc1cc(C)c(NC(=O)[C@@H]2CCCN(c3ncnc4oc(C)c(C)c34)C2)c(C)c1.
What is the InChIKey of (3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide?
The InChIKey is ASFOUYXEIGKWOZ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-13-9-14(2)20(15(3)10-13)26-22(28)18-7-6-8-27(11-18)21-19-16(4)17(5)29-23(19)25-12-24-21/h9-10,12,18H,6-8,11H2,1-5H3,(H,26,28)/t18-/m1/s1.
What are the key properties of (3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide?
(3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 92866265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).