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

C22H26FN3O — CID 110416916

IUPAC[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
SMILESCN1CCN(C(=O)c2ccc(N3CCCC3)cc2)CC1c1ccc(F)cc1
InChIInChI=1S/C22H26FN3O/c1-24-14-15-26(16-21(24)17-4-8-19(23)9-5-17)22(27)18-6-10-20(11-7-18)25-12-2-3-13-25/h4-11,21H,2-3,12-16H2,1H3
InChIKeyIJAYJUJJVXEBBH-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.55
Rot. Bonds3

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

[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone (PubChem CID 110416916) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
PubChem CID110416916
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
SMILESCN1CCN(C(=O)c2ccc(N3CCCC3)cc2)CC1c1ccc(F)cc1
InChIInChI=1S/C22H26FN3O/c1-24-14-15-26(16-21(24)17-4-8-19(23)9-5-17)22(27)18-6-10-20(11-7-18)25-12-2-3-13-25/h4-11,21H,2-3,12-16H2,1H3
InChIKeyIJAYJUJJVXEBBH-UHFFFAOYSA-N
XLogP3.55
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-pyridin-4-ylmethanone
CID 84513587
(4-methyl-3-phenylpiperazin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 110416835
[4-(1,3-dithian-2-yl)phenyl]-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methanone
CID 87030060
[4-(1,3-dithiolan-2-yl)phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 9081384
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-4-yl]methanone
CID 126023047
1-(4-fluorobenzoyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 55657080
(2R)-4-(4-fluorobenzoyl)-N,1-dimethylpiperazine-2-carboxamide
CID 124993020
[1-(4-fluorobenzoyl)piperidin-4-yl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55918263
1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]butane-1,4-dione
CID 110617335
(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
[4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 9161600

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone?
The IUPAC name of [3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone (CID 110416916) is [3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone?
The canonical SMILES for [3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone is CN1CCN(C(=O)c2ccc(N3CCCC3)cc2)CC1c1ccc(F)cc1.
What is the InChIKey of [3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone?
The InChIKey is IJAYJUJJVXEBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c1-24-14-15-26(16-21(24)17-4-8-19(23)9-5-17)22(27)18-6-10-20(11-7-18)25-12-2-3-13-25/h4-11,21H,2-3,12-16H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone?
[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone has a molecular weight of 367.47 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone is sourced from PubChem (CID 110416916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).