2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzonitrile

C17H17N5O2 — CID 2707510

IUPAC2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzonitrile
SMILESN#Cc1ccccc1OCC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H17N5O2/c18-12-14-4-1-2-5-15(14)24-13-16(23)21-8-10-22(11-9-21)17-19-6-3-7-20-17/h1-7H,8-11,13H2
InChIKeyMNTPKFGAYRZBOE-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.08
Rot. Bonds4

About 2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzonitrile

2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzonitrile (PubChem CID 2707510) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzonitrile
PubChem CID2707510
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzonitrile
SMILESN#Cc1ccccc1OCC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H17N5O2/c18-12-14-4-1-2-5-15(14)24-13-16(23)21-8-10-22(11-9-21)17-19-6-3-7-20-17/h1-7H,8-11,13H2
InChIKeyMNTPKFGAYRZBOE-UHFFFAOYSA-N
XLogP1.08
TPSA82.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-iodophenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 38880193
2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile
CID 27825590
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-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethoxy]benzonitrile
CID 63025751
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-quinolin-8-yloxyethanone
CID 110855024
2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile
CID 2634554
2-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethoxy]benzonitrile
CID 4885426
2-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethoxy]benzonitrile
CID 51165397
2-[2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile
CID 26660063
2-phenoxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone
CID 47072316
2-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethoxy]benzonitrile
CID 62896297

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzonitrile?
The IUPAC name of 2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzonitrile (CID 2707510) is 2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzonitrile?
The canonical SMILES for 2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzonitrile is N#Cc1ccccc1OCC(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzonitrile?
The InChIKey is MNTPKFGAYRZBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c18-12-14-4-1-2-5-15(14)24-13-16(23)21-8-10-22(11-9-21)17-19-6-3-7-20-17/h1-7H,8-11,13H2.
What are the key properties of 2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzonitrile?
2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzonitrile has a molecular weight of 323.36 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzonitrile is sourced from PubChem (CID 2707510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).