(5-ethoxyfuran-2-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone

C17H20N2O3 — CID 86285632

IUPAC(5-ethoxyfuran-2-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCCCC2c2ccccn2)o1
InChIInChI=1S/C17H20N2O3/c1-2-21-16-10-9-15(22-16)17(20)19-12-6-4-8-14(19)13-7-3-5-11-18-13/h3,5,7,9-11,14H,2,4,6,8,12H2,1H3
InChIKeyFITUQUITHLYQTE-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.44
Rot. Bonds4

About (5-ethoxyfuran-2-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone

(5-ethoxyfuran-2-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone (PubChem CID 86285632) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (5-ethoxyfuran-2-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-ethoxyfuran-2-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone
PubChem CID86285632
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(5-ethoxyfuran-2-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCCCC2c2ccccn2)o1
InChIInChI=1S/C17H20N2O3/c1-2-21-16-10-9-15(22-16)17(20)19-12-6-4-8-14(19)13-7-3-5-11-18-13/h3,5,7,9-11,14H,2,4,6,8,12H2,1H3
InChIKeyFITUQUITHLYQTE-UHFFFAOYSA-N
XLogP3.44
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-ethoxyfuran-2-yl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 99976176
[5-(imidazol-1-ylmethyl)furan-2-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56879395
(5-methyl-1,3-oxazol-4-yl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 95871537
[3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 125161463
1,3-benzodioxol-5-yl-(2-pyridin-2-ylpiperidin-1-yl)methanone
CID 70759267
(2S)-N-(oxan-4-ylmethyl)-2-pyridin-2-ylpiperidine-1-carboxamide
CID 126442149
benzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate
CID 14814122
6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 95871248
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 97144676
(4R)-5,5-dimethyl-4-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]oxolan-2-one
CID 100819553
(2-pyridin-2-ylpyrrolidin-1-yl)-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 56895640
[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 95720181

Frequently Asked Questions

What is the IUPAC name of (5-ethoxyfuran-2-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (5-ethoxyfuran-2-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone (CID 86285632) is (5-ethoxyfuran-2-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-ethoxyfuran-2-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (5-ethoxyfuran-2-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone is CCOc1ccc(C(=O)N2CCCCC2c2ccccn2)o1.
What is the InChIKey of (5-ethoxyfuran-2-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone?
The InChIKey is FITUQUITHLYQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-2-21-16-10-9-15(22-16)17(20)19-12-6-4-8-14(19)13-7-3-5-11-18-13/h3,5,7,9-11,14H,2,4,6,8,12H2,1H3.
What are the key properties of (5-ethoxyfuran-2-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone?
(5-ethoxyfuran-2-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone has a molecular weight of 300.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxyfuran-2-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 86285632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).