3-methoxy-4-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methoxy]benzonitrile

C18H20N4O3 — CID 155918127

IUPAC3-methoxy-4-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methoxy]benzonitrile
SMILESCOc1cc(C#N)ccc1OCC1CCCN(C(=O)c2cn[nH]c2)C1
InChIInChI=1S/C18H20N4O3/c1-24-17-7-13(8-19)4-5-16(17)25-12-14-3-2-6-22(11-14)18(23)15-9-20-21-10-15/h4-5,7,9-10,14H,2-3,6,11-12H2,1H3,(H,20,21)
InChIKeyDAAFALWSXRNVIC-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.22
Rot. Bonds5

About 3-methoxy-4-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methoxy]benzonitrile

3-methoxy-4-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methoxy]benzonitrile (PubChem CID 155918127) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-methoxy-4-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methoxy]benzonitrile.

Molecular Properties

Compound Name3-methoxy-4-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methoxy]benzonitrile
PubChem CID155918127
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name3-methoxy-4-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methoxy]benzonitrile
SMILESCOc1cc(C#N)ccc1OCC1CCCN(C(=O)c2cn[nH]c2)C1
InChIInChI=1S/C18H20N4O3/c1-24-17-7-13(8-19)4-5-16(17)25-12-14-3-2-6-22(11-14)18(23)15-9-20-21-10-15/h4-5,7,9-10,14H,2-3,6,11-12H2,1H3,(H,20,21)
InChIKeyDAAFALWSXRNVIC-UHFFFAOYSA-N
XLogP2.22
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-4-[[1-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperidin-3-yl]methoxy]benzonitrile
CID 155495681
4-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methoxy]-3-methoxybenzonitrile
CID 155504197
4-[[1-[2-(4-fluorophenoxy)acetyl]piperidin-3-yl]methoxy]-3-methoxybenzonitrile
CID 155503125
3-methoxy-4-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidin-3-yl]methoxy]benzonitrile
CID 155501347
[3-(bromomethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 80660595
N-(2-chloro-6-methylphenyl)-3-[(4-cyano-2-methoxyphenoxy)methyl]piperidine-1-carboxamide
CID 155501859
3-methoxy-4-[[1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]methoxy]benzonitrile
CID 155915213
3-[3-(methoxymethyl)piperidine-1-carbonyl]benzonitrile
CID 90504865
(3-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone;hydrochloride
CID 119378962
4-[(3S)-3-[[3-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidine-1-carbonyl]benzonitrile
CID 92900885
4-[(3S)-3-[[3-(piperidine-1-carbonyl)phenoxy]methyl]piperidine-1-carbonyl]benzonitrile
CID 92900771
[4-[[(3R)-1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097592

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methoxy]benzonitrile?
The IUPAC name of 3-methoxy-4-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methoxy]benzonitrile (CID 155918127) is 3-methoxy-4-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methoxy]benzonitrile.
What is the SMILES notation for 3-methoxy-4-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methoxy]benzonitrile?
The canonical SMILES for 3-methoxy-4-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methoxy]benzonitrile is COc1cc(C#N)ccc1OCC1CCCN(C(=O)c2cn[nH]c2)C1.
What is the InChIKey of 3-methoxy-4-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methoxy]benzonitrile?
The InChIKey is DAAFALWSXRNVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-24-17-7-13(8-19)4-5-16(17)25-12-14-3-2-6-22(11-14)18(23)15-9-20-21-10-15/h4-5,7,9-10,14H,2-3,6,11-12H2,1H3,(H,20,21).
What are the key properties of 3-methoxy-4-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methoxy]benzonitrile?
3-methoxy-4-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methoxy]benzonitrile has a molecular weight of 340.38 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methoxy]benzonitrile is sourced from PubChem (CID 155918127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).