[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-pyrrolidin-1-ylmethanone

C22H24FN3O2 — CID 109051662

IUPAC[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1)N1CCCC1
InChIInChI=1S/C22H24FN3O2/c23-19-6-8-20(9-7-19)24-12-14-26(15-13-24)22(28)18-5-3-4-17(16-18)21(27)25-10-1-2-11-25/h3-9,16H,1-2,10-15H2
InChIKeyKHUBZBMSGLRKNJ-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.02
Rot. Bonds3

About [3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-pyrrolidin-1-ylmethanone

[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 109051662) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is [3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID109051662
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1)N1CCCC1
InChIInChI=1S/C22H24FN3O2/c23-19-6-8-20(9-7-19)24-12-14-26(15-13-24)22(28)18-5-3-4-17(16-18)21(27)25-10-1-2-11-25/h3-9,16H,1-2,10-15H2
InChIKeyKHUBZBMSGLRKNJ-UHFFFAOYSA-N
XLogP3.02
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-pyrrolidin-1-ylmethanone 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-fluorophenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078904
[4-(3-fluorobenzoyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110347138
[3-(difluoromethoxy)phenyl]-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methanone
CID 70707236
[3-(1,1-dioxothiazinan-2-yl)phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 7499097
[4-(4-fluorophenyl)piperazin-1-yl]-[3-(4-hydroxyphenyl)phenyl]methanone
CID 2106289
(3,5-dihydroxyphenyl)-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methanone
CID 86801395
(3-methylphenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078901
[2-(azepan-1-yl)-4-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109173653
(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 669359
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 912606

Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-pyrrolidin-1-ylmethanone (CID 109051662) is [3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-pyrrolidin-1-ylmethanone is O=C(c1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1)N1CCCC1.
What is the InChIKey of [3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is KHUBZBMSGLRKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c23-19-6-8-20(9-7-19)24-12-14-26(15-13-24)22(28)18-5-3-4-17(16-18)21(27)25-10-1-2-11-25/h3-9,16H,1-2,10-15H2.
What are the key properties of [3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-pyrrolidin-1-ylmethanone?
[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 381.45 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109051662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).