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

C21H24FN3O — CID 113078904

IUPAC(3-fluorophenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCN(c2ccc(N3CCCC3)cc2)CC1
InChIInChI=1S/C21H24FN3O/c22-18-5-3-4-17(16-18)21(26)25-14-12-24(13-15-25)20-8-6-19(7-9-20)23-10-1-2-11-23/h3-9,16H,1-2,10-15H2
InChIKeyDDSKYVMIEOQYIH-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.39
Rot. Bonds3

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

(3-fluorophenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone (PubChem CID 113078904) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
PubChem CID113078904
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC Name(3-fluorophenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCN(c2ccc(N3CCCC3)cc2)CC1
InChIInChI=1S/C21H24FN3O/c22-18-5-3-4-17(16-18)21(26)25-14-12-24(13-15-25)20-8-6-19(7-9-20)23-10-1-2-11-23/h3-9,16H,1-2,10-15H2
InChIKeyDDSKYVMIEOQYIH-UHFFFAOYSA-N
XLogP3.39
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[4-(3-fluorobenzoyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110347138
[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-pyrrolidin-1-ylmethanone
CID 109051662
[4-(3,4-difluorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 86345157
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
(3-methylphenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078901
ethyl 4-[4-(3-fluorobenzoyl)piperazin-1-yl]benzoate
CID 113079816
[4-(3-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113079249
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110365289
[3-(difluoromethoxy)phenyl]-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methanone
CID 70707236
(3,5-difluorophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 4806675
(3-fluorophenyl)-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 3234335

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone (CID 113078904) is (3-fluorophenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone is O=C(c1cccc(F)c1)N1CCN(c2ccc(N3CCCC3)cc2)CC1.
What is the InChIKey of (3-fluorophenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone?
The InChIKey is DDSKYVMIEOQYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O/c22-18-5-3-4-17(16-18)21(26)25-14-12-24(13-15-25)20-8-6-19(7-9-20)23-10-1-2-11-23/h3-9,16H,1-2,10-15H2.
What are the key properties of (3-fluorophenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone?
(3-fluorophenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone has a molecular weight of 353.44 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 113078904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).