2-methyl-1-(3-piperidin-2-ylphenyl)pyrazolidin-3-one

C15H21N3O — CID 117402530

IUPAC2-methyl-1-(3-piperidin-2-ylphenyl)pyrazolidin-3-one
SMILESCN1C(=O)CCN1c1cccc(C2CCCCN2)c1
InChIInChI=1S/C15H21N3O/c1-17-15(19)8-10-18(17)13-6-4-5-12(11-13)14-7-2-3-9-16-14/h4-6,11,14,16H,2-3,7-10H2,1H3
InChIKeyKELNLIIDIYYZEH-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.08
Rot. Bonds2

About 2-methyl-1-(3-piperidin-2-ylphenyl)pyrazolidin-3-one

2-methyl-1-(3-piperidin-2-ylphenyl)pyrazolidin-3-one (PubChem CID 117402530) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-methyl-1-(3-piperidin-2-ylphenyl)pyrazolidin-3-one.

Molecular Properties

Compound Name2-methyl-1-(3-piperidin-2-ylphenyl)pyrazolidin-3-one
PubChem CID117402530
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-methyl-1-(3-piperidin-2-ylphenyl)pyrazolidin-3-one
SMILESCN1C(=O)CCN1c1cccc(C2CCCCN2)c1
InChIInChI=1S/C15H21N3O/c1-17-15(19)8-10-18(17)13-6-4-5-12(11-13)14-7-2-3-9-16-14/h4-6,11,14,16H,2-3,7-10H2,1H3
InChIKeyKELNLIIDIYYZEH-UHFFFAOYSA-N
XLogP2.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(2R)-2-(3-methylphenyl)azepane
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[3-[(2R)-piperidin-2-yl]phenyl] acetate
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1-methyl-7-piperidin-2-yl-3,4-dihydroquinolin-2-one
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(2R)-2-(3-iodophenyl)piperidine
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3-[(2S)-piperidin-2-yl]phenol
CID 55277853
2-(3-methylsulfonylphenyl)azepane
CID 62544544
acetic acid;(3-piperidin-2-ylphenyl) acetate
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(2R)-2-(3-chlorophenyl)piperidine;hydrochloride
CID 154574647
2-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine
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(2S)-2-phenylpiperidine
CID 10997356

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-piperidin-2-ylphenyl)pyrazolidin-3-one?
The IUPAC name of 2-methyl-1-(3-piperidin-2-ylphenyl)pyrazolidin-3-one (CID 117402530) is 2-methyl-1-(3-piperidin-2-ylphenyl)pyrazolidin-3-one.
What is the SMILES notation for 2-methyl-1-(3-piperidin-2-ylphenyl)pyrazolidin-3-one?
The canonical SMILES for 2-methyl-1-(3-piperidin-2-ylphenyl)pyrazolidin-3-one is CN1C(=O)CCN1c1cccc(C2CCCCN2)c1.
What is the InChIKey of 2-methyl-1-(3-piperidin-2-ylphenyl)pyrazolidin-3-one?
The InChIKey is KELNLIIDIYYZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-17-15(19)8-10-18(17)13-6-4-5-12(11-13)14-7-2-3-9-16-14/h4-6,11,14,16H,2-3,7-10H2,1H3.
What are the key properties of 2-methyl-1-(3-piperidin-2-ylphenyl)pyrazolidin-3-one?
2-methyl-1-(3-piperidin-2-ylphenyl)pyrazolidin-3-one has a molecular weight of 259.35 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-piperidin-2-ylphenyl)pyrazolidin-3-one is sourced from PubChem (CID 117402530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).