1-[2-(2-cyanophenoxy)ethyl]piperidine-4-carboxamide

C15H19N3O2 — CID 43288683

IUPAC1-[2-(2-cyanophenoxy)ethyl]piperidine-4-carboxamide
SMILESN#Cc1ccccc1OCCN1CCC(C(N)=O)CC1
InChIInChI=1S/C15H19N3O2/c16-11-13-3-1-2-4-14(13)20-10-9-18-7-5-12(6-8-18)15(17)19/h1-4,12H,5-10H2,(H2,17,19)
InChIKeyXWDLOBOBICANGY-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.13
Rot. Bonds5

About 1-[2-(2-cyanophenoxy)ethyl]piperidine-4-carboxamide

1-[2-(2-cyanophenoxy)ethyl]piperidine-4-carboxamide (PubChem CID 43288683) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[2-(2-cyanophenoxy)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-cyanophenoxy)ethyl]piperidine-4-carboxamide
PubChem CID43288683
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[2-(2-cyanophenoxy)ethyl]piperidine-4-carboxamide
SMILESN#Cc1ccccc1OCCN1CCC(C(N)=O)CC1
InChIInChI=1S/C15H19N3O2/c16-11-13-3-1-2-4-14(13)20-10-9-18-7-5-12(6-8-18)15(17)19/h1-4,12H,5-10H2,(H2,17,19)
InChIKeyXWDLOBOBICANGY-UHFFFAOYSA-N
XLogP1.13
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile
CID 103714068
(2R)-2-[1-[2-(2-cyanophenoxy)ethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
CID 129489237
2-[2-(3,4-dihydroxypyrrolidin-1-yl)ethoxy]benzonitrile
CID 106669436
1-[2-(2-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 799678
1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-4-carboxamide
CID 3055325
2-[4-(4-methylpiperazin-1-yl)butoxy]benzonitrile;hydrochloride
CID 2992837
2-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)ethoxy]benzonitrile
CID 49234217
2-[2-[2-(hydroxymethyl)azepan-1-yl]ethoxy]benzonitrile
CID 116634750
4-[4-[2-(2-cyanophenoxy)ethyl]piperazin-1-yl]sulfonylbenzenesulfonamide
CID 55987931
ethyl 4-[4-[2-(2-cyanophenoxy)ethyl]piperazin-1-yl]sulfonylbenzoate
CID 55989089
2-[3-[(3R,4R)-3,4-dimethylpiperidin-1-yl]propoxy]benzonitrile
CID 27186867
1-[2-(3-bromophenoxy)ethyl]piperidine-4-carboxamide
CID 9442914

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-cyanophenoxy)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2-cyanophenoxy)ethyl]piperidine-4-carboxamide (CID 43288683) is 1-[2-(2-cyanophenoxy)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2-cyanophenoxy)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2-cyanophenoxy)ethyl]piperidine-4-carboxamide is N#Cc1ccccc1OCCN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-(2-cyanophenoxy)ethyl]piperidine-4-carboxamide?
The InChIKey is XWDLOBOBICANGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-11-13-3-1-2-4-14(13)20-10-9-18-7-5-12(6-8-18)15(17)19/h1-4,12H,5-10H2,(H2,17,19).
What are the key properties of 1-[2-(2-cyanophenoxy)ethyl]piperidine-4-carboxamide?
1-[2-(2-cyanophenoxy)ethyl]piperidine-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-cyanophenoxy)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 43288683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).