2-[2-oxo-4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]benzonitrile

C19H18N4O2 — CID 70721245

IUPAC2-[2-oxo-4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]benzonitrile
SMILESN#Cc1ccccc1N1CCN(C(=O)CCc2cccnc2)CC1=O
InChIInChI=1S/C19H18N4O2/c20-12-16-5-1-2-6-17(16)23-11-10-22(14-19(23)25)18(24)8-7-15-4-3-9-21-13-15/h1-6,9,13H,7-8,10-11,14H2
InChIKeyRHGCYHXWYATNQO-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.76
Rot. Bonds4

About 2-[2-oxo-4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]benzonitrile

2-[2-oxo-4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]benzonitrile (PubChem CID 70721245) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[2-oxo-4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[2-oxo-4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]benzonitrile
PubChem CID70721245
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-[2-oxo-4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]benzonitrile
SMILESN#Cc1ccccc1N1CCN(C(=O)CCc2cccnc2)CC1=O
InChIInChI=1S/C19H18N4O2/c20-12-16-5-1-2-6-17(16)23-11-10-22(14-19(23)25)18(24)8-7-15-4-3-9-21-13-15/h1-6,9,13H,7-8,10-11,14H2
InChIKeyRHGCYHXWYATNQO-UHFFFAOYSA-N
XLogP1.76
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyridin-3-yl-4-(2-pyridin-3-ylacetyl)piperazin-2-one
CID 126851696
1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 110853162
2-[2-oxo-4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]benzonitrile
CID 70777780
4-[3-(2,6-dichlorophenyl)propanoyl]-1-pyridin-3-ylpiperazin-2-one
CID 131702383
(Z)-but-2-enedioic acid;N-[3-cyano-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylpropanamide
CID 68635879
N-(2-cyanophenyl)-3-pyridin-3-ylpropanamide
CID 110864606
1-[4-(benzenesulfonyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 27510115
2-[4-[(3S)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]-2-oxopiperazin-1-yl]benzonitrile
CID 96573530
N-[3-cyano-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylbutanamide
CID 59301579
1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 175657779
1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70717959
2-benzyl-1-[(4-methoxyphenyl)methyl]-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
CID 134810351

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]benzonitrile?
The IUPAC name of 2-[2-oxo-4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]benzonitrile (CID 70721245) is 2-[2-oxo-4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]benzonitrile.
What is the SMILES notation for 2-[2-oxo-4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]benzonitrile?
The canonical SMILES for 2-[2-oxo-4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]benzonitrile is N#Cc1ccccc1N1CCN(C(=O)CCc2cccnc2)CC1=O.
What is the InChIKey of 2-[2-oxo-4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]benzonitrile?
The InChIKey is RHGCYHXWYATNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c20-12-16-5-1-2-6-17(16)23-11-10-22(14-19(23)25)18(24)8-7-15-4-3-9-21-13-15/h1-6,9,13H,7-8,10-11,14H2.
What are the key properties of 2-[2-oxo-4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]benzonitrile?
2-[2-oxo-4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]benzonitrile has a molecular weight of 334.38 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]benzonitrile is sourced from PubChem (CID 70721245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).