4-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methoxy]-3-methoxybenzonitrile

C22H25N3O4 — CID 155504197

IUPAC4-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methoxy]-3-methoxybenzonitrile
SMILESCCOc1ncccc1C(=O)N1CCCC(COc2ccc(C#N)cc2OC)C1
InChIInChI=1S/C22H25N3O4/c1-3-28-21-18(7-4-10-24-21)22(26)25-11-5-6-17(14-25)15-29-19-9-8-16(13-23)12-20(19)27-2/h4,7-10,12,17H,3,5-6,11,14-15H2,1-2H3
InChIKeyUNRFZVVQIXHXSF-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.29
Rot. Bonds7

About 4-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methoxy]-3-methoxybenzonitrile

4-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methoxy]-3-methoxybenzonitrile (PubChem CID 155504197) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methoxy]-3-methoxybenzonitrile.

Molecular Properties

Compound Name4-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methoxy]-3-methoxybenzonitrile
PubChem CID155504197
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name4-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methoxy]-3-methoxybenzonitrile
SMILESCCOc1ncccc1C(=O)N1CCCC(COc2ccc(C#N)cc2OC)C1
InChIInChI=1S/C22H25N3O4/c1-3-28-21-18(7-4-10-24-21)22(26)25-11-5-6-17(14-25)15-29-19-9-8-16(13-23)12-20(19)27-2/h4,7-10,12,17H,3,5-6,11,14-15H2,1-2H3
InChIKeyUNRFZVVQIXHXSF-UHFFFAOYSA-N
XLogP3.29
TPSA84.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-4-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methoxy]benzonitrile
CID 155918127
(2-ethoxy-3-pyridinyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 127246482
3-methoxy-4-[[1-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperidin-3-yl]methoxy]benzonitrile
CID 155495681
N-[[(3S)-1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 94821205
N-(2-chloro-6-methylphenyl)-3-[(4-cyano-2-methoxyphenoxy)methyl]piperidine-1-carboxamide
CID 155501859
[3-(bromomethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 80660116
(2-ethoxy-3-pyridinyl)-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 124956924
4-[[1-[2-(4-fluorophenoxy)acetyl]piperidin-3-yl]methoxy]-3-methoxybenzonitrile
CID 155503125
N-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]butanamide
CID 51107687
(2-ethoxy-3-pyridinyl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 125009660
2-[(3aR,7aR)-6-(2-ethoxypyridine-3-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]pyridine-4-carbonitrile
CID 121417374
[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 97136974

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methoxy]-3-methoxybenzonitrile?
The IUPAC name of 4-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methoxy]-3-methoxybenzonitrile (CID 155504197) is 4-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methoxy]-3-methoxybenzonitrile.
What is the SMILES notation for 4-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methoxy]-3-methoxybenzonitrile?
The canonical SMILES for 4-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methoxy]-3-methoxybenzonitrile is CCOc1ncccc1C(=O)N1CCCC(COc2ccc(C#N)cc2OC)C1.
What is the InChIKey of 4-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methoxy]-3-methoxybenzonitrile?
The InChIKey is UNRFZVVQIXHXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-3-28-21-18(7-4-10-24-21)22(26)25-11-5-6-17(14-25)15-29-19-9-8-16(13-23)12-20(19)27-2/h4,7-10,12,17H,3,5-6,11,14-15H2,1-2H3.
What are the key properties of 4-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methoxy]-3-methoxybenzonitrile?
4-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methoxy]-3-methoxybenzonitrile has a molecular weight of 395.46 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methoxy]-3-methoxybenzonitrile is sourced from PubChem (CID 155504197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).