1-(1-pyridin-3-ylethyl)piperazine-2,5-dione

C11H13N3O2 — CID 64956135

IUPAC1-(1-pyridin-3-ylethyl)piperazine-2,5-dione
SMILESCC(c1cccnc1)N1CC(=O)NCC1=O
InChIInChI=1S/C11H13N3O2/c1-8(9-3-2-4-12-5-9)14-7-10(15)13-6-11(14)16/h2-5,8H,6-7H2,1H3,(H,13,15)
InChIKeyVDBMDNOWBDOVFM-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.10
Rot. Bonds2

About 1-(1-pyridin-3-ylethyl)piperazine-2,5-dione

1-(1-pyridin-3-ylethyl)piperazine-2,5-dione (PubChem CID 64956135) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-(1-pyridin-3-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(1-pyridin-3-ylethyl)piperazine-2,5-dione
PubChem CID64956135
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-(1-pyridin-3-ylethyl)piperazine-2,5-dione
SMILESCC(c1cccnc1)N1CC(=O)NCC1=O
InChIInChI=1S/C11H13N3O2/c1-8(9-3-2-4-12-5-9)14-7-10(15)13-6-11(14)16/h2-5,8H,6-7H2,1H3,(H,13,15)
InChIKeyVDBMDNOWBDOVFM-UHFFFAOYSA-N
XLogP0.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-pyridin-2-ylethyl)piperazine-2,5-dione
CID 64956136
4-chloro-1-(1-pyridin-3-ylethyl)pyrrolidin-2-one
CID 168686908
1-(1-phenylpropan-2-yl)piperazine-2,5-dione
CID 64955615
3-[(1S)-1-propan-2-yloxyethyl]pyridine
CID 134380003
(2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid
CID 124512132
(2R)-3-pyridin-3-ylbutan-2-ol
CID 57231816
3-(1-pyridin-3-ylethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79290115
2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one
CID 87038067
1-(2-phenylpropyl)piperazine-2,5-dione
CID 113430277
(1R,5S,6R,7S)-4-oxo-3-[(1S)-1-pyridin-3-ylethyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
CID 99941001
1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
CID 4272805
1-(4-methylthiophen-2-yl)-3-(1-pyridin-3-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-one
CID 67862560

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyridin-3-ylethyl)piperazine-2,5-dione?
The IUPAC name of 1-(1-pyridin-3-ylethyl)piperazine-2,5-dione (CID 64956135) is 1-(1-pyridin-3-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(1-pyridin-3-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 1-(1-pyridin-3-ylethyl)piperazine-2,5-dione is CC(c1cccnc1)N1CC(=O)NCC1=O.
What is the InChIKey of 1-(1-pyridin-3-ylethyl)piperazine-2,5-dione?
The InChIKey is VDBMDNOWBDOVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-8(9-3-2-4-12-5-9)14-7-10(15)13-6-11(14)16/h2-5,8H,6-7H2,1H3,(H,13,15).
What are the key properties of 1-(1-pyridin-3-ylethyl)piperazine-2,5-dione?
1-(1-pyridin-3-ylethyl)piperazine-2,5-dione has a molecular weight of 219.24 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyridin-3-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64956135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).