[1-[2-(4-cyanophenoxy)ethyl]piperidin-3-yl] carbamate

C15H19N3O3 — CID 70421145

IUPAC[1-[2-(4-cyanophenoxy)ethyl]piperidin-3-yl] carbamate
SMILESN#Cc1ccc(OCCN2CCCC(OC(N)=O)C2)cc1
InChIInChI=1S/C15H19N3O3/c16-10-12-3-5-13(6-4-12)20-9-8-18-7-1-2-14(11-18)21-15(17)19/h3-6,14H,1-2,7-9,11H2,(H2,17,19)
InChIKeyVMPCFWYKMLTPSU-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.50
Rot. Bonds5

About [1-[2-(4-cyanophenoxy)ethyl]piperidin-3-yl] carbamate

[1-[2-(4-cyanophenoxy)ethyl]piperidin-3-yl] carbamate (PubChem CID 70421145) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is [1-[2-(4-cyanophenoxy)ethyl]piperidin-3-yl] carbamate.

Molecular Properties

Compound Name[1-[2-(4-cyanophenoxy)ethyl]piperidin-3-yl] carbamate
PubChem CID70421145
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name[1-[2-(4-cyanophenoxy)ethyl]piperidin-3-yl] carbamate
SMILESN#Cc1ccc(OCCN2CCCC(OC(N)=O)C2)cc1
InChIInChI=1S/C15H19N3O3/c16-10-12-3-5-13(6-4-12)20-9-8-18-7-1-2-14(11-18)21-15(17)19/h3-6,14H,1-2,7-9,11H2,(H2,17,19)
InChIKeyVMPCFWYKMLTPSU-UHFFFAOYSA-N
XLogP1.50
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-cyanophenoxy)ethyl]piperidine-3-carboxamide
CID 43213972
methyl (3S)-1-[2-(4-cyanophenoxy)ethyl]piperidine-3-carboxylate
CID 79037643
4-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)ethoxy]benzonitrile
CID 49235694
1-[2-(4-cyanophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide
CID 42926355
4-[2-[3-(methylaminomethyl)piperidin-1-yl]ethoxy]benzonitrile
CID 61203832
(3S)-1-[2-(4-cyanophenoxy)ethyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 95604416
(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
1-[2-(4-cyanophenoxy)ethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720877
3-amino-1-[2-(4-cyanophenoxy)ethyl]pyrrolidine-3-carboxylic acid
CID 107324709
[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methanamine
CID 102956615

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-cyanophenoxy)ethyl]piperidin-3-yl] carbamate?
The IUPAC name of [1-[2-(4-cyanophenoxy)ethyl]piperidin-3-yl] carbamate (CID 70421145) is [1-[2-(4-cyanophenoxy)ethyl]piperidin-3-yl] carbamate.
What is the SMILES notation for [1-[2-(4-cyanophenoxy)ethyl]piperidin-3-yl] carbamate?
The canonical SMILES for [1-[2-(4-cyanophenoxy)ethyl]piperidin-3-yl] carbamate is N#Cc1ccc(OCCN2CCCC(OC(N)=O)C2)cc1.
What is the InChIKey of [1-[2-(4-cyanophenoxy)ethyl]piperidin-3-yl] carbamate?
The InChIKey is VMPCFWYKMLTPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c16-10-12-3-5-13(6-4-12)20-9-8-18-7-1-2-14(11-18)21-15(17)19/h3-6,14H,1-2,7-9,11H2,(H2,17,19).
What are the key properties of [1-[2-(4-cyanophenoxy)ethyl]piperidin-3-yl] carbamate?
[1-[2-(4-cyanophenoxy)ethyl]piperidin-3-yl] carbamate has a molecular weight of 289.33 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-cyanophenoxy)ethyl]piperidin-3-yl] carbamate is sourced from PubChem (CID 70421145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).