3-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile

C21H21N5O2 — CID 113191911

IUPAC3-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile
SMILESN#Cc1cccc(N2CC(C(=O)N3CCN(c4ccccn4)CC3)CC2=O)c1
InChIInChI=1S/C21H21N5O2/c22-14-16-4-3-5-18(12-16)26-15-17(13-20(26)27)21(28)25-10-8-24(9-11-25)19-6-1-2-7-23-19/h1-7,12,17H,8-11,13,15H2
InChIKeyIAHJXGJNDUKRBC-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.65
Rot. Bonds3

About 3-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile

3-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile (PubChem CID 113191911) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile.

Molecular Properties

Compound Name3-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile
PubChem CID113191911
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name3-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile
SMILESN#Cc1cccc(N2CC(C(=O)N3CCN(c4ccccn4)CC3)CC2=O)c1
InChIInChI=1S/C21H21N5O2/c22-14-16-4-3-5-18(12-16)26-15-17(13-20(26)27)21(28)25-10-8-24(9-11-25)19-6-1-2-7-23-19/h1-7,12,17H,8-11,13,15H2
InChIKeyIAHJXGJNDUKRBC-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

2-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile
CID 113191766
(3R)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 30121276
2-[4-[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 43060262
(4S)-1-naphthalen-1-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9318939
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzonitrile
CID 113080898
1-(3,4-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113186142
1-(3-methoxyphenyl)-4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122332539
1-(2-phenylethyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 51143749
1-(3-bromophenyl)-4-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122336448
3-[4-(2-ethylpiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzonitrile
CID 113191916
4-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 122338234
1-(2,3-dihydro-1H-inden-5-yl)-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 46592345

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile?
The IUPAC name of 3-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile (CID 113191911) is 3-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile.
What is the SMILES notation for 3-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile?
The canonical SMILES for 3-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile is N#Cc1cccc(N2CC(C(=O)N3CCN(c4ccccn4)CC3)CC2=O)c1.
What is the InChIKey of 3-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile?
The InChIKey is IAHJXGJNDUKRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c22-14-16-4-3-5-18(12-16)26-15-17(13-20(26)27)21(28)25-10-8-24(9-11-25)19-6-1-2-7-23-19/h1-7,12,17H,8-11,13,15H2.
What are the key properties of 3-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile?
3-[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 3-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile is sourced from PubChem (CID 113191911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).