1-[2-(2-cyanophenoxy)acetyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide

C21H21N3O4 — CID 71864234

IUPAC1-[2-(2-cyanophenoxy)acetyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
SMILESN#Cc1ccccc1OCC(=O)N1CCC(C(=O)Nc2ccc(O)cc2)CC1
InChIInChI=1S/C21H21N3O4/c22-13-16-3-1-2-4-19(16)28-14-20(26)24-11-9-15(10-12-24)21(27)23-17-5-7-18(25)8-6-17/h1-8,15,25H,9-12,14H2,(H,23,27)
InChIKeyUFBXUPJCIPICEW-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.52
Rot. Bonds5

About 1-[2-(2-cyanophenoxy)acetyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide

1-[2-(2-cyanophenoxy)acetyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide (PubChem CID 71864234) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-[2-(2-cyanophenoxy)acetyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-cyanophenoxy)acetyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
PubChem CID71864234
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name1-[2-(2-cyanophenoxy)acetyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
SMILESN#Cc1ccccc1OCC(=O)N1CCC(C(=O)Nc2ccc(O)cc2)CC1
InChIInChI=1S/C21H21N3O4/c22-13-16-3-1-2-4-19(16)28-14-20(26)24-11-9-15(10-12-24)21(27)23-17-5-7-18(25)8-6-17/h1-8,15,25H,9-12,14H2,(H,23,27)
InChIKeyUFBXUPJCIPICEW-UHFFFAOYSA-N
XLogP2.52
TPSA102.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethoxy]benzonitrile
CID 51165397
N-(2-cyanophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673965
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
N-[4-[1-[[2-(2-cyanophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 134021122
(3R)-3-[[[2-(2-cyanophenoxy)acetyl]amino]carbamoyl]-N-phenylpiperidine-1-carboxamide
CID 9087992
2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethoxy]benzonitrile
CID 103533289
2-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile
CID 115746379
1-[2-(2-ethylphenoxy)acetyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 55395932
2-[2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile
CID 38607341
N-[4-(2-methoxyphenoxy)phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409832
N-(1,3-benzodioxol-5-yl)-1-[2-(2-chlorophenoxy)acetyl]piperidine-4-carboxamide
CID 17466076

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-cyanophenoxy)acetyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2-cyanophenoxy)acetyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide (CID 71864234) is 1-[2-(2-cyanophenoxy)acetyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2-cyanophenoxy)acetyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2-cyanophenoxy)acetyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide is N#Cc1ccccc1OCC(=O)N1CCC(C(=O)Nc2ccc(O)cc2)CC1.
What is the InChIKey of 1-[2-(2-cyanophenoxy)acetyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide?
The InChIKey is UFBXUPJCIPICEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c22-13-16-3-1-2-4-19(16)28-14-20(26)24-11-9-15(10-12-24)21(27)23-17-5-7-18(25)8-6-17/h1-8,15,25H,9-12,14H2,(H,23,27).
What are the key properties of 1-[2-(2-cyanophenoxy)acetyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide?
1-[2-(2-cyanophenoxy)acetyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-cyanophenoxy)acetyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 71864234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).