4-(2-piperidin-3-ylphenyl)piperazin-2-one

C15H21N3O — CID 117402527

IUPAC4-(2-piperidin-3-ylphenyl)piperazin-2-one
SMILESO=C1CN(c2ccccc2C2CCCNC2)CCN1
InChIInChI=1S/C15H21N3O/c19-15-11-18(9-8-17-15)14-6-2-1-5-13(14)12-4-3-7-16-10-12/h1-2,5-6,12,16H,3-4,7-11H2,(H,17,19)
InChIKeyJXIQCWHNJVTXCE-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.09
Rot. Bonds2

About 4-(2-piperidin-3-ylphenyl)piperazin-2-one

4-(2-piperidin-3-ylphenyl)piperazin-2-one (PubChem CID 117402527) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-(2-piperidin-3-ylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-piperidin-3-ylphenyl)piperazin-2-one
PubChem CID117402527
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-(2-piperidin-3-ylphenyl)piperazin-2-one
SMILESO=C1CN(c2ccccc2C2CCCNC2)CCN1
InChIInChI=1S/C15H21N3O/c19-15-11-18(9-8-17-15)14-6-2-1-5-13(14)12-4-3-7-16-10-12/h1-2,5-6,12,16H,3-4,7-11H2,(H,17,19)
InChIKeyJXIQCWHNJVTXCE-UHFFFAOYSA-N
XLogP1.09
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-pyrrolidin-2-ylphenyl)piperazin-2-one
CID 117365563
4-(2-pyrrolidin-1-ylphenyl)piperazin-2-one
CID 168513641
1-methyl-3-piperidin-3-ylpyridin-2-one
CID 166162666
ethane;3-(2-methylphenyl)piperidine
CID 144655647
3-(2,3-dichlorophenyl)piperidine
CID 24904244
3-(2-methylsulfonylphenyl)piperidine
CID 82388241
4-(2-amino-3-pyridinyl)piperazin-2-one
CID 104539681
(3S)-3-(2-tert-butylphenyl)piperidine
CID 118547022
2-[(3R)-piperidin-3-yl]benzonitrile
CID 93478487
4-(3-cyclopropyl-4-methylphenyl)piperazin-2-one
CID 155722146
4-[2-(1-hydroxypropan-2-yl)phenyl]piperazin-2-one
CID 117340762
4-(2-propanoylphenyl)piperazin-2-one
CID 112677272

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-3-ylphenyl)piperazin-2-one?
The IUPAC name of 4-(2-piperidin-3-ylphenyl)piperazin-2-one (CID 117402527) is 4-(2-piperidin-3-ylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(2-piperidin-3-ylphenyl)piperazin-2-one?
The canonical SMILES for 4-(2-piperidin-3-ylphenyl)piperazin-2-one is O=C1CN(c2ccccc2C2CCCNC2)CCN1.
What is the InChIKey of 4-(2-piperidin-3-ylphenyl)piperazin-2-one?
The InChIKey is JXIQCWHNJVTXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c19-15-11-18(9-8-17-15)14-6-2-1-5-13(14)12-4-3-7-16-10-12/h1-2,5-6,12,16H,3-4,7-11H2,(H,17,19).
What are the key properties of 4-(2-piperidin-3-ylphenyl)piperazin-2-one?
4-(2-piperidin-3-ylphenyl)piperazin-2-one has a molecular weight of 259.35 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-3-ylphenyl)piperazin-2-one is sourced from PubChem (CID 117402527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).