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

C16H21N3O2 — CID 117463832

IUPAC1-[3-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione
SMILESO=C1CN(c2cccc(CC3CCCNC3)c2)C(=O)CN1
InChIInChI=1S/C16H21N3O2/c20-15-11-19(16(21)10-18-15)14-5-1-3-12(8-14)7-13-4-2-6-17-9-13/h1,3,5,8,13,17H,2,4,6-7,9-11H2,(H,18,20)
InChIKeyIDIPCFRUNKUHHK-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.69
Rot. Bonds3

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

1-[3-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione (PubChem CID 117463832) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[3-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-[3-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione
PubChem CID117463832
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[3-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione
SMILESO=C1CN(c2cccc(CC3CCCNC3)c2)C(=O)CN1
InChIInChI=1S/C16H21N3O2/c20-15-11-19(16(21)10-18-15)14-5-1-3-12(8-14)7-13-4-2-6-17-9-13/h1,3,5,8,13,17H,2,4,6-7,9-11H2,(H,18,20)
InChIKeyIDIPCFRUNKUHHK-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-[2-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione
CID 117463837
1-methyl-3-[3-(piperidin-3-ylmethyl)phenyl]imidazol-2-one
CID 117431524
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
1-[3-(piperidin-4-ylmethyl)phenyl]piperazin-2-one
CID 117436479
1-[3-(2-amino-2-methylpropyl)phenyl]piperazine-2,5-dione
CID 117407702
3-(piperidin-3-ylmethyl)phenol
CID 57155980
3-[(3-propan-2-ylphenyl)methyl]piperidine
CID 84785652
1-methyl-1-[3-(piperidin-3-ylmethyl)phenyl]urea
CID 117371572
1-(3-aminophenyl)piperazine-2,5-dione
CID 82512416
1,3-dimethyl-5-(piperidin-3-ylmethyl)benzimidazol-2-one
CID 82500378
3-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidine
CID 84701353

Frequently Asked Questions

What is the IUPAC name of 1-[3-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione?
The IUPAC name of 1-[3-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione (CID 117463832) is 1-[3-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione.
What is the SMILES notation for 1-[3-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione?
The canonical SMILES for 1-[3-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione is O=C1CN(c2cccc(CC3CCCNC3)c2)C(=O)CN1.
What is the InChIKey of 1-[3-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione?
The InChIKey is IDIPCFRUNKUHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-15-11-19(16(21)10-18-15)14-5-1-3-12(8-14)7-13-4-2-6-17-9-13/h1,3,5,8,13,17H,2,4,6-7,9-11H2,(H,18,20).
What are the key properties of 1-[3-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione?
1-[3-(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-[3-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione is sourced from PubChem (CID 117463832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).