(4-benzylpiperazin-1-yl)-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone

C24H30FN3O — CID 43922259

IUPAC(4-benzylpiperazin-1-yl)-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
SMILESO=C(C1CCCN(Cc2ccccc2F)C1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H30FN3O/c25-23-11-5-4-9-21(23)18-27-12-6-10-22(19-27)24(29)28-15-13-26(14-16-28)17-20-7-2-1-3-8-20/h1-5,7-9,11,22H,6,10,12-19H2
InChIKeyQYGXDWJRECMOJB-UHFFFAOYSA-N
MW395.52 g/mol
LogP3.38
Rot. Bonds5

About (4-benzylpiperazin-1-yl)-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone

(4-benzylpiperazin-1-yl)-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone (PubChem CID 43922259) has the molecular formula C24H30FN3O and a molecular weight of 395.52 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
PubChem CID43922259
Molecular FormulaC24H30FN3O
Molecular Weight395.52 g/mol
Exact Mass395.24
IUPAC Name(4-benzylpiperazin-1-yl)-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
SMILESO=C(C1CCCN(Cc2ccccc2F)C1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H30FN3O/c25-23-11-5-4-9-21(23)18-27-12-6-10-22(19-27)24(29)28-15-13-26(14-16-28)17-20-7-2-1-3-8-20/h1-5,7-9,11,22H,6,10,12-19H2
InChIKeyQYGXDWJRECMOJB-UHFFFAOYSA-N
XLogP3.38
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-benzylpiperazin-1-yl)-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone with MolForge

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Related Compounds

azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 756318
cyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 113074078
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
(4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone
CID 93491661
4-(4-benzylpiperazine-1-carbonyl)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-one
CID 113183434
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone
CID 28559689
3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 1400992
1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone
CID 63846661
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
(4-benzylpiperazin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 4551047
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone (CID 43922259) is (4-benzylpiperazin-1-yl)-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone is O=C(C1CCCN(Cc2ccccc2F)C1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone?
The InChIKey is QYGXDWJRECMOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O/c25-23-11-5-4-9-21(23)18-27-12-6-10-22(19-27)24(29)28-15-13-26(14-16-28)17-20-7-2-1-3-8-20/h1-5,7-9,11,22H,6,10,12-19H2.
What are the key properties of (4-benzylpiperazin-1-yl)-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone?
(4-benzylpiperazin-1-yl)-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone has a molecular weight of 395.52 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 43922259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).