[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone

C22H26FN3O — CID 95880904

IUPAC[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone
SMILESO=C(c1ccccc1[C@@H]1CCNC1)N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C22H26FN3O/c23-19-5-3-4-17(14-19)16-25-10-12-26(13-11-25)22(27)21-7-2-1-6-20(21)18-8-9-24-15-18/h1-7,14,18,24H,8-13,15-16H2/t18-/m1/s1
InChIKeyVKFHLHJEJVCVNO-GOSISDBHSA-N
MW367.47 g/mol
LogP2.86
Rot. Bonds4

About [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone

[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone (PubChem CID 95880904) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone.

Molecular Properties

Compound Name[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone
PubChem CID95880904
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone
SMILESO=C(c1ccccc1[C@@H]1CCNC1)N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C22H26FN3O/c23-19-5-3-4-17(14-19)16-25-10-12-26(13-11-25)22(27)21-7-2-1-6-20(21)18-8-9-24-15-18/h1-7,14,18,24H,8-13,15-16H2/t18-/m1/s1
InChIKeyVKFHLHJEJVCVNO-GOSISDBHSA-N
XLogP2.86
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[2-[(3S)-pyrrolidin-3-yl]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

[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(2-pyrrolidin-3-ylphenyl)methanone;dihydrochloride
CID 154894827
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[4-[(3S)-pyrrolidin-3-yl]phenyl]methanone
CID 95876601
(4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrrolidin-3-ylphenyl)methanone
CID 56914215
(2,3-dichlorophenyl)-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19291232
cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 17250044
[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-[2-(pyrrolidin-3-ylmethyl)phenyl]methanone;dihydrochloride
CID 171324934
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-6-yl)methanone;dihydrochloride
CID 154893496
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 828777
N-[1-(2-pyrrolidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide;hydrochloride
CID 154895509
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 46998185
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
(3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)-[2-[(3R)-pyrrolidin-3-yl]phenyl]methanone
CID 95723576

Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone?
The IUPAC name of [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone (CID 95880904) is [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone.
What is the SMILES notation for [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone?
The canonical SMILES for [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone is O=C(c1ccccc1[C@@H]1CCNC1)N1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone?
The InChIKey is VKFHLHJEJVCVNO-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26FN3O/c23-19-5-3-4-17(14-19)16-25-10-12-26(13-11-25)22(27)21-7-2-1-6-20(21)18-8-9-24-15-18/h1-7,14,18,24H,8-13,15-16H2/t18-/m1/s1.
What are the key properties of [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone?
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone has a molecular weight of 367.47 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone is sourced from PubChem (CID 95880904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).