1-[2-(4-cyanophenoxy)ethyl]piperidine-3-carboxamide

C15H19N3O2 — CID 43213972

IUPAC1-[2-(4-cyanophenoxy)ethyl]piperidine-3-carboxamide
SMILESN#Cc1ccc(OCCN2CCCC(C(N)=O)C2)cc1
InChIInChI=1S/C15H19N3O2/c16-10-12-3-5-14(6-4-12)20-9-8-18-7-1-2-13(11-18)15(17)19/h3-6,13H,1-2,7-9,11H2,(H2,17,19)
InChIKeyVLEYVCROJBYYPD-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.13
Rot. Bonds5

About 1-[2-(4-cyanophenoxy)ethyl]piperidine-3-carboxamide

1-[2-(4-cyanophenoxy)ethyl]piperidine-3-carboxamide (PubChem CID 43213972) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[2-(4-cyanophenoxy)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-cyanophenoxy)ethyl]piperidine-3-carboxamide
PubChem CID43213972
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[2-(4-cyanophenoxy)ethyl]piperidine-3-carboxamide
SMILESN#Cc1ccc(OCCN2CCCC(C(N)=O)C2)cc1
InChIInChI=1S/C15H19N3O2/c16-10-12-3-5-14(6-4-12)20-9-8-18-7-1-2-13(11-18)15(17)19/h3-6,13H,1-2,7-9,11H2,(H2,17,19)
InChIKeyVLEYVCROJBYYPD-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

methyl (3S)-1-[2-(4-cyanophenoxy)ethyl]piperidine-3-carboxylate
CID 79037643
[1-[2-(4-cyanophenoxy)ethyl]piperidin-3-yl] carbamate
CID 70421145
1-[2-(4-cyanophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide
CID 42926355
(3S)-1-[2-(4-cyanophenoxy)ethyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 95604416
4-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)ethoxy]benzonitrile
CID 49235694
ethyl 1-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxylate
CID 6459024
4-[2-[3-(methylaminomethyl)piperidin-1-yl]ethoxy]benzonitrile
CID 61203832
(3R)-1-[2-(4-cyanophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 129486676
4-[3-(3-aminopyrrolidin-1-yl)propoxy]benzonitrile
CID 67132046
4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzonitrile
CID 115647831
4-(3-piperidin-1-ylpropoxy)benzonitrile
CID 2994072
1-[2-(4-cyanophenoxy)ethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720877

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyanophenoxy)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-cyanophenoxy)ethyl]piperidine-3-carboxamide (CID 43213972) is 1-[2-(4-cyanophenoxy)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-cyanophenoxy)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-cyanophenoxy)ethyl]piperidine-3-carboxamide is N#Cc1ccc(OCCN2CCCC(C(N)=O)C2)cc1.
What is the InChIKey of 1-[2-(4-cyanophenoxy)ethyl]piperidine-3-carboxamide?
The InChIKey is VLEYVCROJBYYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-10-12-3-5-14(6-4-12)20-9-8-18-7-1-2-13(11-18)15(17)19/h3-6,13H,1-2,7-9,11H2,(H2,17,19).
What are the key properties of 1-[2-(4-cyanophenoxy)ethyl]piperidine-3-carboxamide?
1-[2-(4-cyanophenoxy)ethyl]piperidine-3-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-(4-cyanophenoxy)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 43213972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).