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

C23H28N4O2 — CID 46289986

IUPAC1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide
SMILESCCc1ccc(CNC(=O)C2CCN(c3ncnc4oc(C)c(C)c34)CC2)cc1
InChIInChI=1S/C23H28N4O2/c1-4-17-5-7-18(8-6-17)13-24-22(28)19-9-11-27(12-10-19)21-20-15(2)16(3)29-23(20)26-14-25-21/h5-8,14,19H,4,9-13H2,1-3H3,(H,24,28)
InChIKeyDBCSWKCVXYROFK-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.93
Rot. Bonds5

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

1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 46289986) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide
PubChem CID46289986
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide
SMILESCCc1ccc(CNC(=O)C2CCN(c3ncnc4oc(C)c(C)c34)CC2)cc1
InChIInChI=1S/C23H28N4O2/c1-4-17-5-7-18(8-6-17)13-24-22(28)19-9-11-27(12-10-19)21-20-15(2)16(3)29-23(20)26-14-25-21/h5-8,14,19H,4,9-13H2,1-3H3,(H,24,28)
InChIKeyDBCSWKCVXYROFK-UHFFFAOYSA-N
XLogP3.93
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 46289938
N-butyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46289963
(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
1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 46289930
(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 92866358
1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 46289932
N-[(4-ethylphenyl)methyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165858
N-benzyl-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 9268829
N-(4-chloro-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46289955

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide (CID 46289986) is 1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide is CCc1ccc(CNC(=O)C2CCN(c3ncnc4oc(C)c(C)c34)CC2)cc1.
What is the InChIKey of 1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is DBCSWKCVXYROFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-4-17-5-7-18(8-6-17)13-24-22(28)19-9-11-27(12-10-19)21-20-15(2)16(3)29-23(20)26-14-25-21/h5-8,14,19H,4,9-13H2,1-3H3,(H,24,28).
What are the key properties of 1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide?
1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46289986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).