4-[(5-cyano-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide

C20H22N4O4 — CID 71799121

IUPAC4-[(5-cyano-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(Oc3ccc(C#N)cn3)CC2)cc(OC)c1
InChIInChI=1S/C20H22N4O4/c1-26-17-9-15(10-18(11-17)27-2)23-20(25)24-7-5-16(6-8-24)28-19-4-3-14(12-21)13-22-19/h3-4,9-11,13,16H,5-8H2,1-2H3,(H,23,25)
InChIKeyHUWXEIPFDNMNAC-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.05
Rot. Bonds5

About 4-[(5-cyano-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide

4-[(5-cyano-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide (PubChem CID 71799121) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-[(5-cyano-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(5-cyano-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide
PubChem CID71799121
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name4-[(5-cyano-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(Oc3ccc(C#N)cn3)CC2)cc(OC)c1
InChIInChI=1S/C20H22N4O4/c1-26-17-9-15(10-18(11-17)27-2)23-20(25)24-7-5-16(6-8-24)28-19-4-3-14(12-21)13-22-19/h3-4,9-11,13,16H,5-8H2,1-2H3,(H,23,25)
InChIKeyHUWXEIPFDNMNAC-UHFFFAOYSA-N
XLogP3.05
TPSA96.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121161054
3-[(5-cyano-2-pyridinyl)oxy]-N-(3,4-dimethylphenyl)azetidine-1-carboxamide
CID 122248895
3-[(5-cyano-2-pyridinyl)oxy]-N-(4-ethoxyphenyl)azetidine-1-carboxamide
CID 122248888
6-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]oxypyridine-3-carbonitrile
CID 67530014
5-cyano-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 63716894
N-(3-methoxyphenyl)-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide
CID 90559675
6-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71799106
4-[[3-[(5-cyano-2-pyridinyl)oxy]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024721
6-[1-(hydroxymethyl)piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71063615
N-(4-methoxyphenyl)-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide
CID 90559676
3-[(5-cyano-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide
CID 122248920
N-[4-[(5-cyano-2-pyridinyl)oxy]cyclohexyl]acetamide
CID 71063607

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyano-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(5-cyano-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide (CID 71799121) is 4-[(5-cyano-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(5-cyano-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(5-cyano-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide is COc1cc(NC(=O)N2CCC(Oc3ccc(C#N)cn3)CC2)cc(OC)c1.
What is the InChIKey of 4-[(5-cyano-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide?
The InChIKey is HUWXEIPFDNMNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-26-17-9-15(10-18(11-17)27-2)23-20(25)24-7-5-16(6-8-24)28-19-4-3-14(12-21)13-22-19/h3-4,9-11,13,16H,5-8H2,1-2H3,(H,23,25).
What are the key properties of 4-[(5-cyano-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide?
4-[(5-cyano-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyano-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 71799121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).