4-(2-amino-1-pyridin-3-ylpropyl)-3-ethylpiperazine-2,6-dione

C14H20N4O2 — CID 66067712

IUPAC4-(2-amino-1-pyridin-3-ylpropyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(c1cccnc1)C(C)N
InChIInChI=1S/C14H20N4O2/c1-3-11-14(20)17-12(19)8-18(11)13(9(2)15)10-5-4-6-16-7-10/h4-7,9,11,13H,3,8,15H2,1-2H3,(H,17,19,20)
InChIKeyVISWBMKGTXAZNF-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.21
Rot. Bonds4

About 4-(2-amino-1-pyridin-3-ylpropyl)-3-ethylpiperazine-2,6-dione

4-(2-amino-1-pyridin-3-ylpropyl)-3-ethylpiperazine-2,6-dione (PubChem CID 66067712) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(2-amino-1-pyridin-3-ylpropyl)-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-amino-1-pyridin-3-ylpropyl)-3-ethylpiperazine-2,6-dione
PubChem CID66067712
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4-(2-amino-1-pyridin-3-ylpropyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(c1cccnc1)C(C)N
InChIInChI=1S/C14H20N4O2/c1-3-11-14(20)17-12(19)8-18(11)13(9(2)15)10-5-4-6-16-7-10/h4-7,9,11,13H,3,8,15H2,1-2H3,(H,17,19,20)
InChIKeyVISWBMKGTXAZNF-UHFFFAOYSA-N
XLogP0.21
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(2-amino-1-phenylpropyl)-3-ethylpiperazine-2,6-dione
CID 66068482
4-[2-amino-1-(3-fluorophenyl)propyl]-3-ethylpiperazine-2,6-dione
CID 66068681
4-(2-amino-1-pyridin-2-ylethyl)-3-ethylpiperazine-2,6-dione
CID 66068683
3-ethyl-4-(1-oxo-1-phenylpropan-2-yl)piperazine-2,6-dione
CID 66068748
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-pyridin-3-ylpropan-2-amine
CID 65319111
4-[3-(aminomethyl)-2-pyridinyl]-3-ethylpiperazine-2,6-dione
CID 66068862
4-(1-aminopentan-3-yl)-3-ethylpiperazine-2,6-dione
CID 66067337
4-(4-aminopyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione
CID 81245317
4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-ethylpiperazine-2,6-dione
CID 103937468
4-[4-(1-aminoethyl)-3-hydroxyphenyl]-3-ethylpiperazine-2,6-dione
CID 79603828
4-[(4-chloro-3-pyridinyl)sulfonyl]-3-ethylpiperazine-2,6-dione
CID 66068360
1-(1-pyridin-3-ylethyl)piperazine-2,5-dione
CID 64956135

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-pyridin-3-ylpropyl)-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-(2-amino-1-pyridin-3-ylpropyl)-3-ethylpiperazine-2,6-dione (CID 66067712) is 4-(2-amino-1-pyridin-3-ylpropyl)-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2-amino-1-pyridin-3-ylpropyl)-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-(2-amino-1-pyridin-3-ylpropyl)-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(c1cccnc1)C(C)N.
What is the InChIKey of 4-(2-amino-1-pyridin-3-ylpropyl)-3-ethylpiperazine-2,6-dione?
The InChIKey is VISWBMKGTXAZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-11-14(20)17-12(19)8-18(11)13(9(2)15)10-5-4-6-16-7-10/h4-7,9,11,13H,3,8,15H2,1-2H3,(H,17,19,20).
What are the key properties of 4-(2-amino-1-pyridin-3-ylpropyl)-3-ethylpiperazine-2,6-dione?
4-(2-amino-1-pyridin-3-ylpropyl)-3-ethylpiperazine-2,6-dione has a molecular weight of 276.34 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-pyridin-3-ylpropyl)-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 66067712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).