2-methyl-1-[2-(piperidin-3-ylmethyl)phenyl]pyrazolidin-3-one

C16H23N3O — CID 117436462

IUPAC2-methyl-1-[2-(piperidin-3-ylmethyl)phenyl]pyrazolidin-3-one
SMILESCN1C(=O)CCN1c1ccccc1CC1CCCNC1
InChIInChI=1S/C16H23N3O/c1-18-16(20)8-10-19(18)15-7-3-2-6-14(15)11-13-5-4-9-17-12-13/h2-3,6-7,13,17H,4-5,8-12H2,1H3
InChIKeyYXVYABVYGGDVHL-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.81
Rot. Bonds3

About 2-methyl-1-[2-(piperidin-3-ylmethyl)phenyl]pyrazolidin-3-one

2-methyl-1-[2-(piperidin-3-ylmethyl)phenyl]pyrazolidin-3-one (PubChem CID 117436462) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-methyl-1-[2-(piperidin-3-ylmethyl)phenyl]pyrazolidin-3-one.

Molecular Properties

Compound Name2-methyl-1-[2-(piperidin-3-ylmethyl)phenyl]pyrazolidin-3-one
PubChem CID117436462
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-methyl-1-[2-(piperidin-3-ylmethyl)phenyl]pyrazolidin-3-one
SMILESCN1C(=O)CCN1c1ccccc1CC1CCCNC1
InChIInChI=1S/C16H23N3O/c1-18-16(20)8-10-19(18)15-7-3-2-6-14(15)11-13-5-4-9-17-12-13/h2-3,6-7,13,17H,4-5,8-12H2,1H3
InChIKeyYXVYABVYGGDVHL-UHFFFAOYSA-N
XLogP1.81
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione
CID 117463837
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CID 117363445
3-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine
CID 117358223
N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine
CID 84795677
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
3-[(2,3-dichlorophenyl)methyl]piperidine
CID 91178565
3-[(2,3-dimethylphenyl)methyl]piperidine
CID 62548706
2-[[(3S)-piperidin-3-yl]methyl]benzamide
CID 154457528
3-[(2-prop-1-en-2-ylphenyl)methyl]piperidine
CID 66809492
1-methyl-4-[2-(piperidin-4-ylmethyl)phenyl]piperazine
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1-methyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one
CID 105450979

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(piperidin-3-ylmethyl)phenyl]pyrazolidin-3-one?
The IUPAC name of 2-methyl-1-[2-(piperidin-3-ylmethyl)phenyl]pyrazolidin-3-one (CID 117436462) is 2-methyl-1-[2-(piperidin-3-ylmethyl)phenyl]pyrazolidin-3-one.
What is the SMILES notation for 2-methyl-1-[2-(piperidin-3-ylmethyl)phenyl]pyrazolidin-3-one?
The canonical SMILES for 2-methyl-1-[2-(piperidin-3-ylmethyl)phenyl]pyrazolidin-3-one is CN1C(=O)CCN1c1ccccc1CC1CCCNC1.
What is the InChIKey of 2-methyl-1-[2-(piperidin-3-ylmethyl)phenyl]pyrazolidin-3-one?
The InChIKey is YXVYABVYGGDVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-18-16(20)8-10-19(18)15-7-3-2-6-14(15)11-13-5-4-9-17-12-13/h2-3,6-7,13,17H,4-5,8-12H2,1H3.
What are the key properties of 2-methyl-1-[2-(piperidin-3-ylmethyl)phenyl]pyrazolidin-3-one?
2-methyl-1-[2-(piperidin-3-ylmethyl)phenyl]pyrazolidin-3-one has a molecular weight of 273.38 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(piperidin-3-ylmethyl)phenyl]pyrazolidin-3-one is sourced from PubChem (CID 117436462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).