2-[4-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]phenyl]benzonitrile

C24H28N4O — CID 30739189

IUPAC2-[4-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(CN2CCN(CC(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C24H28N4O/c25-17-22-5-1-2-6-23(22)21-9-7-20(8-10-21)18-26-13-15-27(16-14-26)19-24(29)28-11-3-4-12-28/h1-2,5-10H,3-4,11-16,18-19H2
InChIKeyYMNNNMPUJQHOCH-UHFFFAOYSA-N
MW388.52 g/mol
LogP2.97
Rot. Bonds5

About 2-[4-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]phenyl]benzonitrile

2-[4-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]phenyl]benzonitrile (PubChem CID 30739189) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-[4-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[4-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]phenyl]benzonitrile
PubChem CID30739189
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name2-[4-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(CN2CCN(CC(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C24H28N4O/c25-17-22-5-1-2-6-23(22)21-9-7-20(8-10-21)18-26-13-15-27(16-14-26)19-24(29)28-11-3-4-12-28/h1-2,5-10H,3-4,11-16,18-19H2
InChIKeyYMNNNMPUJQHOCH-UHFFFAOYSA-N
XLogP2.97
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(2-cyanophenyl)phenyl]methyl]-1,4-diazepane-1-carboxamide
CID 75386146
2-[4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]phenyl]benzonitrile
CID 25343963
tert-butyl 4-[[4-(2-cyanophenyl)phenyl]methyl]piperazine-1-carboxylate
CID 16740697
1-(azepan-1-yl)-2-(4-benzylpiperazin-1-yl)ethanone chloride
CID 53350851
2-[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]benzonitrile
CID 31262539
2-(azepan-1-yl)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002010
2-[4-[(4-benzylsulfonylpiperazin-1-yl)methyl]phenyl]benzonitrile
CID 16618131
ethyl 1-[[4-(2-cyanophenyl)phenyl]methyl]piperidine-3-carboxylate
CID 16618079
2-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]phenyl]benzonitrile
CID 38045798
2-[(E)-3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]prop-1-enyl]benzonitrile
CID 39627159
2-[4-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]benzonitrile
CID 16618086
1-piperidin-1-yl-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanone
CID 9208442

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]phenyl]benzonitrile?
The IUPAC name of 2-[4-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]phenyl]benzonitrile (CID 30739189) is 2-[4-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]phenyl]benzonitrile.
What is the SMILES notation for 2-[4-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]phenyl]benzonitrile?
The canonical SMILES for 2-[4-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]phenyl]benzonitrile is N#Cc1ccccc1-c1ccc(CN2CCN(CC(=O)N3CCCC3)CC2)cc1.
What is the InChIKey of 2-[4-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]phenyl]benzonitrile?
The InChIKey is YMNNNMPUJQHOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c25-17-22-5-1-2-6-23(22)21-9-7-20(8-10-21)18-26-13-15-27(16-14-26)19-24(29)28-11-3-4-12-28/h1-2,5-10H,3-4,11-16,18-19H2.
What are the key properties of 2-[4-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]phenyl]benzonitrile?
2-[4-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]phenyl]benzonitrile has a molecular weight of 388.52 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]phenyl]benzonitrile is sourced from PubChem (CID 30739189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).