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

C23H28N4O2 — CID 46290122

IUPACN-(2-ethylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCN(c2nc(C)nc3oc(C)c(C)c23)CC1
InChIInChI=1S/C23H28N4O2/c1-5-17-8-6-7-9-19(17)26-22(28)18-10-12-27(13-11-18)21-20-14(2)15(3)29-23(20)25-16(4)24-21/h6-9,18H,5,10-13H2,1-4H3,(H,26,28)
InChIKeyRPEBULHYLLJKAK-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.57
Rot. Bonds4

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

N-(2-ethylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 46290122) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID46290122
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-(2-ethylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCN(c2nc(C)nc3oc(C)c(C)c23)CC1
InChIInChI=1S/C23H28N4O2/c1-5-17-8-6-7-9-19(17)26-22(28)18-10-12-27(13-11-18)21-20-14(2)15(3)29-23(20)25-16(4)24-21/h6-9,18H,5,10-13H2,1-4H3,(H,26,28)
InChIKeyRPEBULHYLLJKAK-UHFFFAOYSA-N
XLogP4.57
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46290154
methyl 2-[[1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate
CID 46290126
N-(3-methylbutyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46290139
N-[2-(cyclohexen-1-yl)ethyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46290155
(3S)-N-(4-methylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866568
(3S)-N-(2,5-difluorophenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866538
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
N-(2-ethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152635
(3R)-N-(4-acetylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866403
N-(2-ethylphenyl)-1-prop-2-ynylpiperidine-4-carboxamide
CID 47069247
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide
CID 46289986

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 46290122) is N-(2-ethylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is CCc1ccccc1NC(=O)C1CCN(c2nc(C)nc3oc(C)c(C)c23)CC1.
What is the InChIKey of N-(2-ethylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is RPEBULHYLLJKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-5-17-8-6-7-9-19(17)26-22(28)18-10-12-27(13-11-18)21-20-14(2)15(3)29-23(20)25-16(4)24-21/h6-9,18H,5,10-13H2,1-4H3,(H,26,28).
What are the key properties of N-(2-ethylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
N-(2-ethylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46290122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).