2-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethoxy]benzonitrile

C20H25N3O3 — CID 51165397

IUPAC2-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethoxy]benzonitrile
SMILESN#Cc1ccccc1OCC(=O)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C20H25N3O3/c21-14-17-6-2-3-7-18(17)26-15-19(24)22-12-8-16(9-13-22)20(25)23-10-4-1-5-11-23/h2-3,6-7,16H,1,4-5,8-13,15H2
InChIKeyPELWYENLXQRIGN-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.19
Rot. Bonds4

About 2-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethoxy]benzonitrile

2-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethoxy]benzonitrile (PubChem CID 51165397) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethoxy]benzonitrile
PubChem CID51165397
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethoxy]benzonitrile
SMILESN#Cc1ccccc1OCC(=O)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C20H25N3O3/c21-14-17-6-2-3-7-18(17)26-15-19(24)22-12-8-16(9-13-22)20(25)23-10-4-1-5-11-23/h2-3,6-7,16H,1,4-5,8-13,15H2
InChIKeyPELWYENLXQRIGN-UHFFFAOYSA-N
XLogP2.19
TPSA73.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-cyanophenoxy)acetyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71864234
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(2-nitrophenoxy)ethanone
CID 31611260
2-[2-oxo-2-(1,4-thiazepan-4-yl)ethoxy]benzonitrile
CID 56813489
2-[2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile
CID 38607341
2-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile
CID 115746379
2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethoxy]benzonitrile
CID 103533289
1-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-2-(2-ethoxyphenoxy)ethanone
CID 108544654
2-(2-cyclohexyl-2-oxoethoxy)benzonitrile
CID 113223270
2-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethoxy]benzonitrile
CID 51165264
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2-ethoxyphenoxy)ethanone
CID 108534050
2-[4-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile
CID 55630194
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-naphthalen-1-yloxyethanone
CID 112823841

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethoxy]benzonitrile?
The IUPAC name of 2-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethoxy]benzonitrile (CID 51165397) is 2-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethoxy]benzonitrile?
The canonical SMILES for 2-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethoxy]benzonitrile is N#Cc1ccccc1OCC(=O)N1CCC(C(=O)N2CCCCC2)CC1.
What is the InChIKey of 2-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethoxy]benzonitrile?
The InChIKey is PELWYENLXQRIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c21-14-17-6-2-3-7-18(17)26-15-19(24)22-12-8-16(9-13-22)20(25)23-10-4-1-5-11-23/h2-3,6-7,16H,1,4-5,8-13,15H2.
What are the key properties of 2-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethoxy]benzonitrile?
2-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethoxy]benzonitrile has a molecular weight of 355.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethoxy]benzonitrile is sourced from PubChem (CID 51165397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).