bis[4-(2-pyrrolidin-1-ylethyl)phenyl]methanone

C25H32N2O — CID 57106697

IUPACbis[4-(2-pyrrolidin-1-ylethyl)phenyl]methanone
SMILESO=C(c1ccc(CCN2CCCC2)cc1)c1ccc(CCN2CCCC2)cc1
InChIInChI=1S/C25H32N2O/c28-25(23-9-5-21(6-10-23)13-19-26-15-1-2-16-26)24-11-7-22(8-12-24)14-20-27-17-3-4-18-27/h5-12H,1-4,13-20H2
InChIKeyAQAYXBUBGHWWDW-UHFFFAOYSA-N
MW376.54 g/mol
LogP4.19
Rot. Bonds8

About bis[4-(2-pyrrolidin-1-ylethyl)phenyl]methanone

bis[4-(2-pyrrolidin-1-ylethyl)phenyl]methanone (PubChem CID 57106697) has the molecular formula C25H32N2O and a molecular weight of 376.54 g/mol. Its IUPAC name is bis[4-(2-pyrrolidin-1-ylethyl)phenyl]methanone.

Molecular Properties

Compound Namebis[4-(2-pyrrolidin-1-ylethyl)phenyl]methanone
PubChem CID57106697
Molecular FormulaC25H32N2O
Molecular Weight376.54 g/mol
Exact Mass376.25
IUPAC Namebis[4-(2-pyrrolidin-1-ylethyl)phenyl]methanone
SMILESO=C(c1ccc(CCN2CCCC2)cc1)c1ccc(CCN2CCCC2)cc1
InChIInChI=1S/C25H32N2O/c28-25(23-9-5-21(6-10-23)13-19-26-15-1-2-16-26)24-11-7-22(8-12-24)14-20-27-17-3-4-18-27/h5-12H,1-4,13-20H2
InChIKeyAQAYXBUBGHWWDW-UHFFFAOYSA-N
XLogP4.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze bis[4-(2-pyrrolidin-1-ylethyl)phenyl]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

N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575256
N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)benzamide
CID 70967822
1-[2-(4-chlorophenyl)ethyl]pyrrolidine
CID 22364204
(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724346
1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone
CID 117368603
1-[2-(4-hydroxysulfanylphenyl)ethyl]piperidine
CID 57495495
1-[4-(2-pyrrolidin-1-ylethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117463972
3-piperidin-1-yl-1-(4-propylphenyl)propan-1-one
CID 94273024
methyl 4-(3-pyrrolidin-1-ylpropyl)benzoate
CID 10658147
1-[2-(4-nitrophenyl)ethyl]pyrrolidine
CID 10536901
4-(2-piperazin-1-ylethyl)benzamide
CID 84696960
4-[(2-pyrrolidin-1-ylethylamino)methyl]benzoic acid
CID 55097521

Frequently Asked Questions

What is the IUPAC name of bis[4-(2-pyrrolidin-1-ylethyl)phenyl]methanone?
The IUPAC name of bis[4-(2-pyrrolidin-1-ylethyl)phenyl]methanone (CID 57106697) is bis[4-(2-pyrrolidin-1-ylethyl)phenyl]methanone.
What is the SMILES notation for bis[4-(2-pyrrolidin-1-ylethyl)phenyl]methanone?
The canonical SMILES for bis[4-(2-pyrrolidin-1-ylethyl)phenyl]methanone is O=C(c1ccc(CCN2CCCC2)cc1)c1ccc(CCN2CCCC2)cc1.
What is the InChIKey of bis[4-(2-pyrrolidin-1-ylethyl)phenyl]methanone?
The InChIKey is AQAYXBUBGHWWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O/c28-25(23-9-5-21(6-10-23)13-19-26-15-1-2-16-26)24-11-7-22(8-12-24)14-20-27-17-3-4-18-27/h5-12H,1-4,13-20H2.
What are the key properties of bis[4-(2-pyrrolidin-1-ylethyl)phenyl]methanone?
bis[4-(2-pyrrolidin-1-ylethyl)phenyl]methanone has a molecular weight of 376.54 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(2-pyrrolidin-1-ylethyl)phenyl]methanone is sourced from PubChem (CID 57106697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).