2-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile

C21H21N5O2 — CID 113191766

IUPAC2-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile
SMILESN#Cc1ccccc1N1CC(C(=O)N2CCN(c3ccccn3)CC2)CC1=O
InChIInChI=1S/C21H21N5O2/c22-14-16-5-1-2-6-18(16)26-15-17(13-20(26)27)21(28)25-11-9-24(10-12-25)19-7-3-4-8-23-19/h1-8,17H,9-13,15H2
InChIKeyKBEZORVKIFZKGI-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.65
Rot. Bonds3

About 2-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile

2-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile (PubChem CID 113191766) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile
PubChem CID113191766
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name2-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile
SMILESN#Cc1ccccc1N1CC(C(=O)N2CCN(c3ccccn3)CC2)CC1=O
InChIInChI=1S/C21H21N5O2/c22-14-16-5-1-2-6-18(16)26-15-17(13-20(26)27)21(28)25-11-9-24(10-12-25)19-7-3-4-8-23-19/h1-8,17H,9-13,15H2
InChIKeyKBEZORVKIFZKGI-UHFFFAOYSA-N
XLogP1.65
TPSA80.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-1-naphthalen-1-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9318939
3-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile
CID 113191911
1-(2-phenylethyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 51143749
(4R)-1-(2-fluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 31203885
methyl 1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694884
2-[4-[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 94114980
2-[4-[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 43060262
1-[2-(2-fluorophenyl)ethyl]-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113184235
3-(4-pyridin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one
CID 110677769
(4R)-4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 9415361
1-(2-fluorophenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 51175375
(4S)-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 8548976

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile?
The IUPAC name of 2-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile (CID 113191766) is 2-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile.
What is the SMILES notation for 2-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile?
The canonical SMILES for 2-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile is N#Cc1ccccc1N1CC(C(=O)N2CCN(c3ccccn3)CC2)CC1=O.
What is the InChIKey of 2-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile?
The InChIKey is KBEZORVKIFZKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c22-14-16-5-1-2-6-18(16)26-15-17(13-20(26)27)21(28)25-11-9-24(10-12-25)19-7-3-4-8-23-19/h1-8,17H,9-13,15H2.
What are the key properties of 2-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile?
2-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile has a molecular weight of 375.43 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile is sourced from PubChem (CID 113191766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).