1-[2-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione

C16H21N3O2 — CID 117463837

IUPAC1-[2-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione
SMILESO=C1CN(c2ccccc2CC2CCCNC2)C(=O)CN1
InChIInChI=1S/C16H21N3O2/c20-15-11-19(16(21)10-18-15)14-6-2-1-5-13(14)8-12-4-3-7-17-9-12/h1-2,5-6,12,17H,3-4,7-11H2,(H,18,20)
InChIKeyRUTZIVXIORFWIQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.69
Rot. Bonds3

About 1-[2-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione

1-[2-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione (PubChem CID 117463837) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[2-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione
PubChem CID117463837
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[2-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione
SMILESO=C1CN(c2ccccc2CC2CCCNC2)C(=O)CN1
InChIInChI=1S/C16H21N3O2/c20-15-11-19(16(21)10-18-15)14-6-2-1-5-13(14)8-12-4-3-7-17-9-12/h1-2,5-6,12,17H,3-4,7-11H2,(H,18,20)
InChIKeyRUTZIVXIORFWIQ-UHFFFAOYSA-N
XLogP0.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione
CID 117463832
2-methyl-1-[2-(piperidin-3-ylmethyl)phenyl]pyrazolidin-3-one
CID 117436462
1-naphthalen-1-ylpiperazine-2,5-dione
CID 64955278
1-[2-(isocyanatomethyl)phenyl]piperazine-2,5-dione
CID 117364388
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
2-(piperidin-3-ylmethyl)benzoic acid
CID 84786861
3-[[2-(1-methylazetidin-3-yl)phenyl]methyl]piperidine
CID 117363445
3-[(2,3-dichlorophenyl)methyl]piperidine
CID 91178565
3-[(2,3-dimethylphenyl)methyl]piperidine
CID 62548706
3-[(2-prop-1-en-2-ylphenyl)methyl]piperidine
CID 66809492

Frequently Asked Questions

What is the IUPAC name of 1-[2-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione?
The IUPAC name of 1-[2-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione (CID 117463837) is 1-[2-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione.
What is the SMILES notation for 1-[2-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione?
The canonical SMILES for 1-[2-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione is O=C1CN(c2ccccc2CC2CCCNC2)C(=O)CN1.
What is the InChIKey of 1-[2-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione?
The InChIKey is RUTZIVXIORFWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-15-11-19(16(21)10-18-15)14-6-2-1-5-13(14)8-12-4-3-7-17-9-12/h1-2,5-6,12,17H,3-4,7-11H2,(H,18,20).
What are the key properties of 1-[2-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione?
1-[2-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione has a molecular weight of 287.36 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione is sourced from PubChem (CID 117463837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).