1-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone

C19H24F3N3O2 — CID 110344229

IUPAC1-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(C1CCCN(C(=O)C(F)(F)F)C1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H24F3N3O2/c20-19(21,22)18(27)25-8-4-7-16(14-25)17(26)24-11-9-23(10-12-24)13-15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2
InChIKeyBJOVQLQLSQQLCE-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.13
Rot. Bonds3

About 1-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone

1-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 110344229) has the molecular formula C19H24F3N3O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 1-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID110344229
Molecular FormulaC19H24F3N3O2
Molecular Weight383.41 g/mol
Exact Mass383.18
IUPAC Name1-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(C1CCCN(C(=O)C(F)(F)F)C1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H24F3N3O2/c20-19(21,22)18(27)25-8-4-7-16(14-25)17(26)24-11-9-23(10-12-24)13-15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2
InChIKeyBJOVQLQLSQQLCE-UHFFFAOYSA-N
XLogP2.13
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
(4-benzylpiperazin-1-yl)-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 25297530
azocan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone
CID 45192001
azepan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone;oxalic acid
CID 90483690
2,2,2-trifluoro-1-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110344243
(4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone
CID 93491661
(4-benzylpiperazin-1-yl)-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43922259
(1-benzylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 67294243
(4-benzylpiperazin-1-yl)-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone
CID 7376452
1-(4-benzylpiperazin-1-yl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)propane-1,3-dione
CID 108964806

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone (CID 110344229) is 1-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone is O=C(C1CCCN(C(=O)C(F)(F)F)C1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is BJOVQLQLSQQLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O2/c20-19(21,22)18(27)25-8-4-7-16(14-25)17(26)24-11-9-23(10-12-24)13-15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2.
What are the key properties of 1-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
1-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 383.41 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 110344229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).