[4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone

C22H27N3O — CID 110295146

IUPAC[4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccc(N4CCCC4)cc3)CC2)c1
InChIInChI=1S/C22H27N3O/c1-18-5-4-6-21(17-18)24-13-15-25(16-14-24)22(26)19-7-9-20(10-8-19)23-11-2-3-12-23/h4-10,17H,2-3,11-16H2,1H3
InChIKeyVWRCJQISFKCXKK-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.56
Rot. Bonds3

About [4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone

[4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone (PubChem CID 110295146) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is [4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
PubChem CID110295146
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name[4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccc(N4CCCC4)cc3)CC2)c1
InChIInChI=1S/C22H27N3O/c1-18-5-4-6-21(17-18)24-13-15-25(16-14-24)22(26)19-7-9-20(10-8-19)23-11-2-3-12-23/h4-10,17H,2-3,11-16H2,1H3
InChIKeyVWRCJQISFKCXKK-UHFFFAOYSA-N
XLogP3.56
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone 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

(3-methylphenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078901
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzonitrile
CID 17478919
4-[4-(3-methylphenyl)piperazin-1-yl]benzoic acid
CID 43826187
[4-(3-methylphenyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 25398177
[4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone
CID 109052867
(3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 17465933
[4-(3-methylphenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110762685
(4-amino-3-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 28748715
(2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 18120424
[4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113075595
2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958401

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone?
The IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone (CID 110295146) is [4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone.
What is the SMILES notation for [4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone?
The canonical SMILES for [4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone is Cc1cccc(N2CCN(C(=O)c3ccc(N4CCCC4)cc3)CC2)c1.
What is the InChIKey of [4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone?
The InChIKey is VWRCJQISFKCXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-18-5-4-6-21(17-18)24-13-15-25(16-14-24)22(26)19-7-9-20(10-8-19)23-11-2-3-12-23/h4-10,17H,2-3,11-16H2,1H3.
What are the key properties of [4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone?
[4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone has a molecular weight of 349.48 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone is sourced from PubChem (CID 110295146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).