3-cyclopropyl-6-ethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione

C16H21N3O2 — CID 64963576

IUPAC3-cyclopropyl-6-ethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C2CC2)C(=O)N1CCc1cccnc1
InChIInChI=1S/C16H21N3O2/c1-2-13-15(20)18-14(12-5-6-12)16(21)19(13)9-7-11-4-3-8-17-10-11/h3-4,8,10,12-14H,2,5-7,9H2,1H3,(H,18,20)
InChIKeyMWBBEDNVVJZYFY-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.14
Rot. Bonds5

About 3-cyclopropyl-6-ethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione

3-cyclopropyl-6-ethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione (PubChem CID 64963576) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-cyclopropyl-6-ethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6-ethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione
PubChem CID64963576
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-cyclopropyl-6-ethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C2CC2)C(=O)N1CCc1cccnc1
InChIInChI=1S/C16H21N3O2/c1-2-13-15(20)18-14(12-5-6-12)16(21)19(13)9-7-11-4-3-8-17-10-11/h3-4,8,10,12-14H,2,5-7,9H2,1H3,(H,18,20)
InChIKeyMWBBEDNVVJZYFY-UHFFFAOYSA-N
XLogP1.14
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dimethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione
CID 64963601
1-but-3-ynyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64972450
1-but-3-enyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 113466174
3-cyclopropyl-6-ethyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione
CID 64884857
5-cycloheptyl-3-(2-pyridin-3-ylethyl)-1,3-diazinane-2,4-dione
CID 146103850
3-cyclopropyl-3,6-dimethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione
CID 64963504
(5S)-5-[(2S)-butan-2-yl]-3-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione
CID 136580804
6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione
CID 64964210
3-cyclopropyl-6-ethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
CID 106002965
3-cyclohexyl-1-(cyclopropylmethyl)-6-ethylpiperazine-2,5-dione
CID 64887557
5-cyclopropyl-2-propan-2-yl-1-(2-pyridin-3-ylethyl)piperazine
CID 64933236
3-cyclopropyl-6-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione
CID 64968254

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-ethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6-ethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione (CID 64963576) is 3-cyclopropyl-6-ethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6-ethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6-ethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione is CCC1C(=O)NC(C2CC2)C(=O)N1CCc1cccnc1.
What is the InChIKey of 3-cyclopropyl-6-ethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione?
The InChIKey is MWBBEDNVVJZYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-13-15(20)18-14(12-5-6-12)16(21)19(13)9-7-11-4-3-8-17-10-11/h3-4,8,10,12-14H,2,5-7,9H2,1H3,(H,18,20).
What are the key properties of 3-cyclopropyl-6-ethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione?
3-cyclopropyl-6-ethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione has a molecular weight of 287.36 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-ethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64963576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).