2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile

C18H21N5O3 — CID 139023067

IUPAC2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile
SMILESCOc1nn(C)cc1C(=O)N1CCCC(COc2cc(C#N)ccn2)C1
InChIInChI=1S/C18H21N5O3/c1-22-11-15(17(21-22)25-2)18(24)23-7-3-4-14(10-23)12-26-16-8-13(9-19)5-6-20-16/h5-6,8,11,14H,3-4,7,10,12H2,1-2H3
InChIKeyUPSXAMOQPQSHLB-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.63
Rot. Bonds5

About 2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile

2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile (PubChem CID 139023067) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile
PubChem CID139023067
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile
SMILESCOc1nn(C)cc1C(=O)N1CCCC(COc2cc(C#N)ccn2)C1
InChIInChI=1S/C18H21N5O3/c1-22-11-15(17(21-22)25-2)18(24)23-7-3-4-14(10-23)12-26-16-8-13(9-19)5-6-20-16/h5-6,8,11,14H,3-4,7,10,12H2,1-2H3
InChIKeyUPSXAMOQPQSHLB-UHFFFAOYSA-N
XLogP1.63
TPSA93.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(4-cyano-2-pyridinyl)oxymethyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 138988354
tert-butyl (3R)-3-[3-[(4-cyano-2-pyridinyl)oxy]propyl]piperidine-1-carboxylate
CID 97172024
4-[(4-cyano-2-pyridinyl)oxymethyl]piperidine-1-carboxylic acid
CID 150205283
4-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methoxy]-3-methoxybenzonitrile
CID 155504197
3-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626783
(3-methoxy-1-methylpyrazol-4-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100639162
[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 154576318
(3-methoxy-1-methylpyrazol-4-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626657
2-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71799026
[1-methyl-3-(4-nitrophenyl)pyrazol-4-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971344
[(3S)-3-(4-fluorophenyl)azepan-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 99903022
2-[(3S)-1-benzoylpiperidin-3-yl]oxypyridine-4-carbonitrile
CID 122516236

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile?
The IUPAC name of 2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile (CID 139023067) is 2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile?
The canonical SMILES for 2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile is COc1nn(C)cc1C(=O)N1CCCC(COc2cc(C#N)ccn2)C1.
What is the InChIKey of 2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile?
The InChIKey is UPSXAMOQPQSHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-22-11-15(17(21-22)25-2)18(24)23-7-3-4-14(10-23)12-26-16-8-13(9-19)5-6-20-16/h5-6,8,11,14H,3-4,7,10,12H2,1-2H3.
What are the key properties of 2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile?
2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile has a molecular weight of 355.40 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile is sourced from PubChem (CID 139023067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).