2-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzonitrile

C23H25N3O2 — CID 51198255

IUPAC2-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccccc1C(=O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C23H25N3O2/c24-16-18-6-1-2-8-20(18)21-9-3-4-10-22(21)23(27)26-13-11-25(12-14-26)17-19-7-5-15-28-19/h1-4,6,8-10,19H,5,7,11-15,17H2
InChIKeyWRIGUBOLUFXHLJ-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.16
Rot. Bonds4

About 2-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzonitrile

2-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzonitrile (PubChem CID 51198255) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzonitrile
PubChem CID51198255
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccccc1C(=O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C23H25N3O2/c24-16-18-6-1-2-8-20(18)21-9-3-4-10-22(21)23(27)26-13-11-25(12-14-26)17-19-7-5-15-28-19/h1-4,6,8-10,19H,5,7,11-15,17H2
InChIKeyWRIGUBOLUFXHLJ-UHFFFAOYSA-N
XLogP3.16
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethoxy]benzonitrile
CID 51165264
1-benzofuran-3-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 171680757
(2-bromophenyl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121054063
[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 9209032
2-[4-[2-(2-cyanophenyl)benzoyl]piperazin-1-yl]-N-ethylacetamide
CID 39569290
2-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]phenyl]benzonitrile
CID 38045798
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 55337903
2-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]benzonitrile
CID 111561000
(2-anilinopyrimidin-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 72886454
3-oxo-3-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]propanenitrile
CID 129498331
2-[2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbonyl]phenyl]benzonitrile
CID 26009658
(5-ethyl-1-phenylpyrazol-4-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 55583502

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzonitrile?
The IUPAC name of 2-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzonitrile (CID 51198255) is 2-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzonitrile.
What is the SMILES notation for 2-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzonitrile?
The canonical SMILES for 2-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzonitrile is N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of 2-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzonitrile?
The InChIKey is WRIGUBOLUFXHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c24-16-18-6-1-2-8-20(18)21-9-3-4-10-22(21)23(27)26-13-11-25(12-14-26)17-19-7-5-15-28-19/h1-4,6,8-10,19H,5,7,11-15,17H2.
What are the key properties of 2-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzonitrile?
2-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzonitrile has a molecular weight of 375.47 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzonitrile is sourced from PubChem (CID 51198255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).