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

C15H19N3O3 — CID 129486676

IUPAC(3R)-1-[2-(4-cyanophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide
SMILESN#Cc1ccc(OCCN2CCC[C@](O)(C(N)=O)C2)cc1
InChIInChI=1S/C15H19N3O3/c16-10-12-2-4-13(5-3-12)21-9-8-18-7-1-6-15(20,11-18)14(17)19/h2-5,20H,1,6-9,11H2,(H2,17,19)/t15-/m1/s1
InChIKeyNCEFHEHSAZTKMS-OAHLLOKOSA-N
MW289.33 g/mol
LogP0.25
Rot. Bonds5

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

(3R)-1-[2-(4-cyanophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide (PubChem CID 129486676) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is (3R)-1-[2-(4-cyanophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(4-cyanophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide
PubChem CID129486676
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name(3R)-1-[2-(4-cyanophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide
SMILESN#Cc1ccc(OCCN2CCC[C@](O)(C(N)=O)C2)cc1
InChIInChI=1S/C15H19N3O3/c16-10-12-2-4-13(5-3-12)21-9-8-18-7-1-6-15(20,11-18)14(17)19/h2-5,20H,1,6-9,11H2,(H2,17,19)/t15-/m1/s1
InChIKeyNCEFHEHSAZTKMS-OAHLLOKOSA-N
XLogP0.25
TPSA99.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-cyanophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 128964591
3-amino-1-[2-(4-cyanophenoxy)ethyl]pyrrolidine-3-carboxylic acid
CID 107324709
4-[2-(4-hydroxy-4-methylazepan-1-yl)ethoxy]benzonitrile
CID 107404531
1-[2-(4-cyanophenoxy)ethyl]piperidine-3-carboxamide
CID 43213972
[1-[2-(4-cyanophenoxy)ethyl]piperidin-3-yl] carbamate
CID 70421145
4-(3-piperidin-1-ylpropoxy)benzonitrile
CID 2994072
methyl (3S)-1-[2-(4-cyanophenoxy)ethyl]piperidine-3-carboxylate
CID 79037643
1'-[2-[4-(1-methylsulfonylcyclobutyl)phenoxy]ethyl]-2-oxospiro[1H-indole-3,4'-piperidine]-5-carbonitrile
CID 168998121
4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]benzonitrile
CID 43581422
3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol
CID 115873813
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
4-[2-[(2S)-2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]benzonitrile
CID 124621592

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(4-cyanophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(4-cyanophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide (CID 129486676) is (3R)-1-[2-(4-cyanophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(4-cyanophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(4-cyanophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide is N#Cc1ccc(OCCN2CCC[C@](O)(C(N)=O)C2)cc1.
What is the InChIKey of (3R)-1-[2-(4-cyanophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide?
The InChIKey is NCEFHEHSAZTKMS-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19N3O3/c16-10-12-2-4-13(5-3-12)21-9-8-18-7-1-6-15(20,11-18)14(17)19/h2-5,20H,1,6-9,11H2,(H2,17,19)/t15-/m1/s1.
What are the key properties of (3R)-1-[2-(4-cyanophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide?
(3R)-1-[2-(4-cyanophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(4-cyanophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 129486676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).