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

C21H23N3O2 — CID 42926355

IUPAC1-[2-(4-cyanophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide
SMILESN#Cc1ccc(OCCN2CCCC(C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C21H23N3O2/c22-15-17-8-10-20(11-9-17)26-14-13-24-12-4-5-18(16-24)21(25)23-19-6-2-1-3-7-19/h1-3,6-11,18H,4-5,12-14,16H2,(H,23,25)
InChIKeyKHFFLUACWBXLNA-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.29
Rot. Bonds6

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

1-[2-(4-cyanophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 42926355) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-[2-(4-cyanophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-cyanophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide
PubChem CID42926355
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-[2-(4-cyanophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide
SMILESN#Cc1ccc(OCCN2CCCC(C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C21H23N3O2/c22-15-17-8-10-20(11-9-17)26-14-13-24-12-4-5-18(16-24)21(25)23-19-6-2-1-3-7-19/h1-3,6-11,18H,4-5,12-14,16H2,(H,23,25)
InChIKeyKHFFLUACWBXLNA-UHFFFAOYSA-N
XLogP3.29
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[3-(4-cyanoanilino)-3-oxopropyl]-N-phenylpiperidine-3-carboxamide
CID 25471392
methyl (3S)-1-[2-(4-cyanophenoxy)ethyl]piperidine-3-carboxylate
CID 79037643
1-[2-(4-cyanophenoxy)ethyl]piperidine-3-carboxamide
CID 43213972
1-[2-(3-fluorophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide
CID 46444102
4-[(3S)-3-(phenylcarbamoyl)piperidin-1-yl]butanoic acid
CID 124576176
1-(4-cyanobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 46657993
[1-[2-(4-cyanophenoxy)ethyl]piperidin-3-yl] carbamate
CID 70421145
(3S)-1-[2-(4-cyanophenoxy)ethyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 95604416
1-benzyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 43922210
(3S)-1-(5-cyano-2-pyridinyl)-N-phenylpiperidine-3-carboxamide
CID 51928820
1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide
CID 17496230
1-(3-morpholin-4-ylpropyl)-N-phenylpiperidine-3-carboxamide
CID 56798820

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyanophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-cyanophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide (CID 42926355) is 1-[2-(4-cyanophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-cyanophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-cyanophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide is N#Cc1ccc(OCCN2CCCC(C(=O)Nc3ccccc3)C2)cc1.
What is the InChIKey of 1-[2-(4-cyanophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is KHFFLUACWBXLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c22-15-17-8-10-20(11-9-17)26-14-13-24-12-4-5-18(16-24)21(25)23-19-6-2-1-3-7-19/h1-3,6-11,18H,4-5,12-14,16H2,(H,23,25).
What are the key properties of 1-[2-(4-cyanophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide?
1-[2-(4-cyanophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.29, 6 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]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 42926355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).