1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]propan-1-one

C26H32FN3O2 — CID 26398707

IUPAC1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]propan-1-one
SMILESO=C(CC[C@H]1CCCN(C(=O)c2ccccc2F)C1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H32FN3O2/c27-24-11-5-4-10-23(24)26(32)30-14-6-9-22(20-30)12-13-25(31)29-17-15-28(16-18-29)19-21-7-2-1-3-8-21/h1-5,7-8,10-11,22H,6,9,12-20H2/t22-/m1/s1
InChIKeyHDKNQMRVVNBYPV-JOCHJYFZSA-N
MW437.56 g/mol
LogP3.80
Rot. Bonds6

About 1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]propan-1-one

1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]propan-1-one (PubChem CID 26398707) has the molecular formula C26H32FN3O2 and a molecular weight of 437.56 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]propan-1-one
PubChem CID26398707
Molecular FormulaC26H32FN3O2
Molecular Weight437.56 g/mol
Exact Mass437.25
IUPAC Name1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]propan-1-one
SMILESO=C(CC[C@H]1CCCN(C(=O)c2ccccc2F)C1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H32FN3O2/c27-24-11-5-4-10-23(24)26(32)30-14-6-9-22(20-30)12-13-25(31)29-17-15-28(16-18-29)19-21-7-2-1-3-8-21/h1-5,7-8,10-11,22H,6,9,12-20H2/t22-/m1/s1
InChIKeyHDKNQMRVVNBYPV-JOCHJYFZSA-N
XLogP3.80
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]propan-1-one with MolForge

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Related Compounds

1-(4-benzylpiperazin-1-yl)-3-[1-(cyclopentene-1-carbonyl)piperidin-3-yl]propan-1-one
CID 45205436
1-(4-benzyl-1,4-diazepan-1-yl)-3-cyclopentylpropan-1-one
CID 23768554
1-(4-benzylpiperazin-1-yl)-3-[(3S)-1-(3-methoxybenzoyl)piperidin-3-yl]propan-1-one
CID 25278100
1-(4-benzylpiperazin-1-yl)-3-(1-propylpiperidin-3-yl)propan-1-one
CID 45196701
1-(4-benzylpiperazin-1-yl)-3-[1-[(2-methylphenyl)methyl]piperidin-3-yl]propan-1-one
CID 45184042
1-(4-benzylpiperazin-1-yl)-3-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]propan-1-one
CID 45190289
1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-1-one
CID 28767056
1-(4-benzylpiperazin-1-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propan-1-one
CID 45189885
(2-fluorophenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
CID 90505160
1-(4-benzylpiperazin-1-yl)-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propan-1-one
CID 28922251
1-(4-benzylpiperazin-1-yl)-3-(1-piperidin-4-ylpiperidin-3-yl)propan-1-one;dihydrochloride
CID 154899721
3-cyclopentyl-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]propan-1-one?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]propan-1-one (CID 26398707) is 1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]propan-1-one.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]propan-1-one?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]propan-1-one is O=C(CC[C@H]1CCCN(C(=O)c2ccccc2F)C1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]propan-1-one?
The InChIKey is HDKNQMRVVNBYPV-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H32FN3O2/c27-24-11-5-4-10-23(24)26(32)30-14-6-9-22(20-30)12-13-25(31)29-17-15-28(16-18-29)19-21-7-2-1-3-8-21/h1-5,7-8,10-11,22H,6,9,12-20H2/t22-/m1/s1.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]propan-1-one?
1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]propan-1-one has a molecular weight of 437.56 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]propan-1-one is sourced from PubChem (CID 26398707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).