1-(2,5-dimethylfuran-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C19H23N3O3 — CID 4285066

IUPAC1-(2,5-dimethylfuran-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1cc(C(=O)N2CCCC(C(=O)NCc3ccccn3)C2)c(C)o1
InChIInChI=1S/C19H23N3O3/c1-13-10-17(14(2)25-13)19(24)22-9-5-6-15(12-22)18(23)21-11-16-7-3-4-8-20-16/h3-4,7-8,10,15H,5-6,9,11-12H2,1-2H3,(H,21,23)
InChIKeyXWOBALYXFLNAFF-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.46
Rot. Bonds4

About 1-(2,5-dimethylfuran-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

1-(2,5-dimethylfuran-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 4285066) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID4285066
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-(2,5-dimethylfuran-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1cc(C(=O)N2CCCC(C(=O)NCc3ccccn3)C2)c(C)o1
InChIInChI=1S/C19H23N3O3/c1-13-10-17(14(2)25-13)19(24)22-9-5-6-15(12-22)18(23)21-11-16-7-3-4-8-20-16/h3-4,7-8,10,15H,5-6,9,11-12H2,1-2H3,(H,21,23)
InChIKeyXWOBALYXFLNAFF-UHFFFAOYSA-N
XLogP2.46
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylfuran-3-carbonyl)-N-propylpiperidine-3-carboxamide
CID 4074750
N-(1-benzylpiperidin-4-yl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide
CID 42780010
(3R)-N-[(2R)-butan-2-yl]-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide
CID 815151
(3S)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 92668626
N-phenyl-5-[(3S)-3-(pyridin-2-ylmethylcarbamoyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 92890642
N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 46352054
(3S)-1-benzoyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide
CID 124739989
(3S)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96579721
N-(1,3-benzodioxol-5-yl)-5-[3-(pyridin-2-ylmethylcarbamoyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330761
1-[1-(2-methylpropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 56869421
(3R)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96580711
(3S)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96571119

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2,5-dimethylfuran-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 4285066) is 1-(2,5-dimethylfuran-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2,5-dimethylfuran-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is Cc1cc(C(=O)N2CCCC(C(=O)NCc3ccccn3)C2)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is XWOBALYXFLNAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-10-17(14(2)25-13)19(24)22-9-5-6-15(12-22)18(23)21-11-16-7-3-4-8-20-16/h3-4,7-8,10,15H,5-6,9,11-12H2,1-2H3,(H,21,23).
What are the key properties of 1-(2,5-dimethylfuran-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
1-(2,5-dimethylfuran-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 4285066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).