2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide

C18H23N3O2 — CID 99847485

IUPAC2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESC[C@@H]1CCN(CC(=O)NCc2cccnc2)[C@@H](c2ccco2)C1
InChIInChI=1S/C18H23N3O2/c1-14-6-8-21(16(10-14)17-5-3-9-23-17)13-18(22)20-12-15-4-2-7-19-11-15/h2-5,7,9,11,14,16H,6,8,10,12-13H2,1H3,(H,20,22)/t14-,16-/m1/s1
InChIKeyZANWWCLHPHNQFP-GDBMZVCRSA-N
MW313.40 g/mol
LogP2.76
Rot. Bonds5

About 2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide

2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 99847485) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID99847485
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESC[C@@H]1CCN(CC(=O)NCc2cccnc2)[C@@H](c2ccco2)C1
InChIInChI=1S/C18H23N3O2/c1-14-6-8-21(16(10-14)17-5-3-9-23-17)13-18(22)20-12-15-4-2-7-19-11-15/h2-5,7,9,11,14,16H,6,8,10,12-13H2,1H3,(H,20,22)/t14-,16-/m1/s1
InChIKeyZANWWCLHPHNQFP-GDBMZVCRSA-N
XLogP2.76
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(furan-2-yl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 42814476
3-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-N-methylpropanamide
CID 99106920
2-[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 99106907
5-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazolidine-3-carboxamide
CID 74658751
2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 97078468
2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 128986753
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
CID 120758254
2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 129477373
2-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 100662667
4-[4-(4-methylpiperidin-1-yl)phenyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108615
2-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 119470768
2-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 100736548

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 99847485) is 2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide is C[C@@H]1CCN(CC(=O)NCc2cccnc2)[C@@H](c2ccco2)C1.
What is the InChIKey of 2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is ZANWWCLHPHNQFP-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14-6-8-21(16(10-14)17-5-3-9-23-17)13-18(22)20-12-15-4-2-7-19-11-15/h2-5,7,9,11,14,16H,6,8,10,12-13H2,1H3,(H,20,22)/t14-,16-/m1/s1.
What are the key properties of 2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 313.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 99847485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).