3-[[2-[(2S)-2-methylpiperidine-1-carbonyl]furan-3-yl]methoxy]benzonitrile

C19H20N2O3 — CID 95160182

IUPAC3-[[2-[(2S)-2-methylpiperidine-1-carbonyl]furan-3-yl]methoxy]benzonitrile
SMILESC[C@H]1CCCCN1C(=O)c1occc1COc1cccc(C#N)c1
InChIInChI=1S/C19H20N2O3/c1-14-5-2-3-9-21(14)19(22)18-16(8-10-23-18)13-24-17-7-4-6-15(11-17)12-20/h4,6-8,10-11,14H,2-3,5,9,13H2,1H3/t14-/m0/s1
InChIKeyVWQMNHROIFIWOU-AWEZNQCLSA-N
MW324.38 g/mol
LogP3.74
Rot. Bonds4

About 3-[[2-[(2S)-2-methylpiperidine-1-carbonyl]furan-3-yl]methoxy]benzonitrile

3-[[2-[(2S)-2-methylpiperidine-1-carbonyl]furan-3-yl]methoxy]benzonitrile (PubChem CID 95160182) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-[[2-[(2S)-2-methylpiperidine-1-carbonyl]furan-3-yl]methoxy]benzonitrile.

Molecular Properties

Compound Name3-[[2-[(2S)-2-methylpiperidine-1-carbonyl]furan-3-yl]methoxy]benzonitrile
PubChem CID95160182
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3-[[2-[(2S)-2-methylpiperidine-1-carbonyl]furan-3-yl]methoxy]benzonitrile
SMILESC[C@H]1CCCCN1C(=O)c1occc1COc1cccc(C#N)c1
InChIInChI=1S/C19H20N2O3/c1-14-5-2-3-9-21(14)19(22)18-16(8-10-23-18)13-24-17-7-4-6-15(11-17)12-20/h4,6-8,10-11,14H,2-3,5,9,13H2,1H3/t14-/m0/s1
InChIKeyVWQMNHROIFIWOU-AWEZNQCLSA-N
XLogP3.74
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-cyanophenoxy)methyl]-N-[(2-hydroxycyclopentyl)methyl]furan-2-carboxamide
CID 111464262
3-[(2S)-2-methylpiperidine-1-carbonyl]benzonitrile
CID 2553523
3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzonitrile
CID 7964565
3-[(3-cyanophenoxy)methyl]-N-(3-ethylsulfonylphenyl)furan-2-carboxamide
CID 86971496
3-[[4-(pyrrolidine-1-carbonyl)phenyl]methoxy]benzonitrile
CID 51190549
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 95590071
(4-hydroxypiperidin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone
CID 110883944
1-[3-(phenoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide
CID 29439907
1-[3-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355008
[3-[(4-ethoxyphenoxy)methyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1012341
(2R)-2-methyl-N-[2-(phenoxymethyl)phenyl]piperidine-1-carboxamide
CID 97092330
3-[(2R)-1-[(2S)-2-(3-cyanophenoxy)propanoyl]piperidin-2-yl]propanoic acid
CID 124695393

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2S)-2-methylpiperidine-1-carbonyl]furan-3-yl]methoxy]benzonitrile?
The IUPAC name of 3-[[2-[(2S)-2-methylpiperidine-1-carbonyl]furan-3-yl]methoxy]benzonitrile (CID 95160182) is 3-[[2-[(2S)-2-methylpiperidine-1-carbonyl]furan-3-yl]methoxy]benzonitrile.
What is the SMILES notation for 3-[[2-[(2S)-2-methylpiperidine-1-carbonyl]furan-3-yl]methoxy]benzonitrile?
The canonical SMILES for 3-[[2-[(2S)-2-methylpiperidine-1-carbonyl]furan-3-yl]methoxy]benzonitrile is C[C@H]1CCCCN1C(=O)c1occc1COc1cccc(C#N)c1.
What is the InChIKey of 3-[[2-[(2S)-2-methylpiperidine-1-carbonyl]furan-3-yl]methoxy]benzonitrile?
The InChIKey is VWQMNHROIFIWOU-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-14-5-2-3-9-21(14)19(22)18-16(8-10-23-18)13-24-17-7-4-6-15(11-17)12-20/h4,6-8,10-11,14H,2-3,5,9,13H2,1H3/t14-/m0/s1.
What are the key properties of 3-[[2-[(2S)-2-methylpiperidine-1-carbonyl]furan-3-yl]methoxy]benzonitrile?
3-[[2-[(2S)-2-methylpiperidine-1-carbonyl]furan-3-yl]methoxy]benzonitrile has a molecular weight of 324.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(2S)-2-methylpiperidine-1-carbonyl]furan-3-yl]methoxy]benzonitrile is sourced from PubChem (CID 95160182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).