1-[2-(3-cyanophenoxy)ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide

C20H22N4O2 — CID 51124507

IUPAC1-[2-(3-cyanophenoxy)ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESN#Cc1cccc(OCCN2CCC(C(=O)Nc3ccccn3)CC2)c1
InChIInChI=1S/C20H22N4O2/c21-15-16-4-3-5-18(14-16)26-13-12-24-10-7-17(8-11-24)20(25)23-19-6-1-2-9-22-19/h1-6,9,14,17H,7-8,10-13H2,(H,22,23,25)
InChIKeyWQRSSDNMAGVQSI-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.68
Rot. Bonds6

About 1-[2-(3-cyanophenoxy)ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide

1-[2-(3-cyanophenoxy)ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide (PubChem CID 51124507) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[2-(3-cyanophenoxy)ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3-cyanophenoxy)ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide
PubChem CID51124507
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-[2-(3-cyanophenoxy)ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESN#Cc1cccc(OCCN2CCC(C(=O)Nc3ccccn3)CC2)c1
InChIInChI=1S/C20H22N4O2/c21-15-16-4-3-5-18(14-16)26-13-12-24-10-7-17(8-11-24)20(25)23-19-6-1-2-9-22-19/h1-6,9,14,17H,7-8,10-13H2,(H,22,23,25)
InChIKeyWQRSSDNMAGVQSI-UHFFFAOYSA-N
XLogP2.68
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[1-[2-(3-cyanophenoxy)ethyl]piperidin-4-yl]-2-hydroxyacetamide
CID 129489911
3-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile
CID 103714071
3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]benzonitrile
CID 43592078
4-(2-phenoxyethyl)-N-pyridin-2-ylpiperazine-1-carboxamide
CID 87011077
1-[2-(4-cyano-2-methoxyphenoxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808382
3-[2-(4-propylpiperazin-1-yl)ethoxy]benzonitrile
CID 43288798
1-(2-phenoxyethyl)-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 137423471
3-[3-(azocan-1-yl)propoxy]benzonitrile
CID 43288881
1-[2-(3-chlorophenoxy)ethyl]-N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
CID 137423514
3-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethoxy]benzonitrile
CID 79084884
N-[(R)-cyclohexyl(pyridin-2-yl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 137423496
N-[(S)-(2-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 137423554

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-cyanophenoxy)ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(3-cyanophenoxy)ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide (CID 51124507) is 1-[2-(3-cyanophenoxy)ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3-cyanophenoxy)ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3-cyanophenoxy)ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide is N#Cc1cccc(OCCN2CCC(C(=O)Nc3ccccn3)CC2)c1.
What is the InChIKey of 1-[2-(3-cyanophenoxy)ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The InChIKey is WQRSSDNMAGVQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c21-15-16-4-3-5-18(14-16)26-13-12-24-10-7-17(8-11-24)20(25)23-19-6-1-2-9-22-19/h1-6,9,14,17H,7-8,10-13H2,(H,22,23,25).
What are the key properties of 1-[2-(3-cyanophenoxy)ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
1-[2-(3-cyanophenoxy)ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-cyanophenoxy)ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 51124507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).