3-[(4-cyano-2-pyridinyl)oxymethyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide

C20H22N4O3 — CID 138988354

IUPAC3-[(4-cyano-2-pyridinyl)oxymethyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCCC(COc2cc(C#N)ccn2)C1
InChIInChI=1S/C20H22N4O3/c1-26-18-7-3-2-6-17(18)23-20(25)24-10-4-5-16(13-24)14-27-19-11-15(12-21)8-9-22-19/h2-3,6-9,11,16H,4-5,10,13-14H2,1H3,(H,23,25)
InChIKeyZZPOTYYIDDMPIG-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.28
Rot. Bonds5

About 3-[(4-cyano-2-pyridinyl)oxymethyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide

3-[(4-cyano-2-pyridinyl)oxymethyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 138988354) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-[(4-cyano-2-pyridinyl)oxymethyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[(4-cyano-2-pyridinyl)oxymethyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide
PubChem CID138988354
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name3-[(4-cyano-2-pyridinyl)oxymethyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCCC(COc2cc(C#N)ccn2)C1
InChIInChI=1S/C20H22N4O3/c1-26-18-7-3-2-6-17(18)23-20(25)24-10-4-5-16(13-24)14-27-19-11-15(12-21)8-9-22-19/h2-3,6-9,11,16H,4-5,10,13-14H2,1H3,(H,23,25)
InChIKeyZZPOTYYIDDMPIG-UHFFFAOYSA-N
XLogP3.28
TPSA87.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-cyano-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)azetidine-1-carboxamide
CID 122252567
2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile
CID 139023067
N-[2-(cyclopropylmethoxy)phenyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111453701
N-(5-cyano-2-methoxyphenyl)-3-hydroxypiperidine-1-carboxamide
CID 49286927
N-(2-chloro-6-methylphenyl)-3-[(4-cyano-2-methoxyphenoxy)methyl]piperidine-1-carboxamide
CID 155501859
N-(2-methoxyphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257523
4-[(4-cyano-2-pyridinyl)oxymethyl]piperidine-1-carboxylic acid
CID 150205283
(3S)-3-cyano-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 97436786
1-[[(3S)-1-[(2-methoxyphenyl)carbamoyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 95125167
(3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 42558040
4-[1-[(2-methoxyphenyl)carbamoyl]piperidin-3-yl]oxypyridine-2-carboxamide
CID 122257006
tert-butyl (3R)-3-[3-[(4-cyano-2-pyridinyl)oxy]propyl]piperidine-1-carboxylate
CID 97172024

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyano-2-pyridinyl)oxymethyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-[(4-cyano-2-pyridinyl)oxymethyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide (CID 138988354) is 3-[(4-cyano-2-pyridinyl)oxymethyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[(4-cyano-2-pyridinyl)oxymethyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[(4-cyano-2-pyridinyl)oxymethyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide is COc1ccccc1NC(=O)N1CCCC(COc2cc(C#N)ccn2)C1.
What is the InChIKey of 3-[(4-cyano-2-pyridinyl)oxymethyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is ZZPOTYYIDDMPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-26-18-7-3-2-6-17(18)23-20(25)24-10-4-5-16(13-24)14-27-19-11-15(12-21)8-9-22-19/h2-3,6-9,11,16H,4-5,10,13-14H2,1H3,(H,23,25).
What are the key properties of 3-[(4-cyano-2-pyridinyl)oxymethyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide?
3-[(4-cyano-2-pyridinyl)oxymethyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyano-2-pyridinyl)oxymethyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 138988354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).